SU-14813

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27FN4O4
Molecular Weight	442.4833
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C(=O)NC[C@H](O)CN2CCOCC2)C(C)=C(N1)\C=C3/C(=O)NC4=CC=C(F)C=C34

InChI

InChIKey=CTNPALGJUAXMMC-PMFHANACSA-N

InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27FN4O4
Molecular Weight	442.4833
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:53:46 UTC 2023` Edited by `admin` on `Fri Dec 15 15:53:46 UTC 2023`
Record UNII	ZZ6VH5MZ17
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SU-14813

Common Name

English

1H-PYRROLE-3-CARBOXAMIDE, 5-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-N-(2-HYDROXY-3-(4-MORPHOLINYL)PROPYL)-2,4-DIMETHYL-

Systematic Name

English

5-((Z)-(5-FLUORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-N-(2-HYDROXY-3-MORPHOLIN-4-YLPROPYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

Systematic Name

English

1H-PYRROLE-3-CARBOXAMIDE, 5-((5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-N-((2S)-2-HYDROXY-3-(4-MORPHOLINYL)PROPYL)-2,4-DIMETHYL-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967