4-[[4-(7-oxidanylidene-1-phenyl-pyrrolo[1,2-a]azepin-3-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(7-oxidanylidene-1-phenyl-pyrrolo[1,2-a]azepin-3-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(7-oxo-1-phenyl-pyrrolo[1,2-a]azepin-3-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(7-oxo-1-phenyl-3-pyrrolo[1,2-a]azepinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(7-oxo-1-phenylpyrrolo[1,2-a]azepin-3-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(7-keto-1-phenyl-pyrrol[1,2-a]azepin-3-yl)piperazino]methyl]benzonitrile Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=CC(=C4N3C=CC(=O)C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=CC(=C4N3C=CC(=O)C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c28-19-21-6-8-22(9-7-21)20-29-14-16-30(17-15-29)27-18-25(23-4-2-1-3-5-23)26-11-10-24(32)12-13-31(26)27/h1-13,18H,14-17,20H2