4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile CAS Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile IUPAC Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile Traditional Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=C(C=C4)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC=C(C=C4)C#N)OCC

InChI

InChI=1S/C23H23N3O2/c1-3-27-21-12-18-15-25-23(17-9-7-16(14-24)8-10-17)19-6-5-11-26(19)20(18)13-22(21)28-4-2/h5-13,23,25H,3-4,15H2,1-2H3