4-[(4-thiophen-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepin-5-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(4-thiophen-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepin-5-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-[4-(2-thienyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl]benzonitrile CAS Name: 4-[oxo-(4-thiophen-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepin-5-yl)methyl]benzonitrile IUPAC Name: 4-(4-thiophen-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl)benzonitrile Traditional Name: 4-[4-(2-thienyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl]benzonitrile Formula: C24H17N3OS MolecularWeight: 395.47628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N3C=CC=C3C(N1C(=O)C4=CC=C(C=C4)C#N)C5=CC=CS5

Isomeric SMILES

C1C2=CC=CC=C2N3C=CC=C3C(N1C(=O)C4=CC=C(C=C4)C#N)C5=CC=CS5

InChI

InChI=1S/C24H17N3OS/c25-15-17-9-11-18(12-10-17)24(28)27-16-19-5-1-2-6-20(19)26-13-3-7-21(26)23(27)22-8-4-14-29-22/h1-14,23H,16H2