ACT-451840

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H54N6O3
Molecular Weight	750.9701
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N1CCN(CC1)C2=CC=C(CN([C@@H](CC3=CC=CC=C3)C(=O)N4CCN(CC5=CC=C(C=C5)C#N)CC4)C(=O)\C=C\C6=CC=C(C=C6)C(C)(C)C)C=C2

InChI

InChIKey=BQZUYCCCNXOADJ-TVNMEPFQSA-N

InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H54N6O3
Molecular Weight	750.9701
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 `Sat Dec 16 11:04:45 UTC 2023` Edited by `admin` on `Sat Dec 16 11:04:45 UTC 2023`
Record UNII	FO890BDO84
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACT-451840

Common Name

English

2-PROPENAMIDE, N-((4-(4-ACETYL-1-PIPERAZINYL)PHENYL)METHYL)-N-((1S)-2-(4-((4-CYANOPHENYL)METHYL)-1-PIPERAZINYL)-2-OXO-1-(PHENYLMETHYL)ETHYL)-3-(4-(1,1-DIMETHYLETHYL)PHENYL)-

Systematic Name

English

(S,E)-N-(4-(4-ACETYLPIPERAZIN-1-YL)BENZYL)-3-(4-(TERT-BUTYL)PHENYL)-N-(1-(4-(4-CYANOBENZYL)PIPERAZIN-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL)ACRYLAMIDE

Systematic Name

English

Code System Code Type Description

CAS

1839508-99-4