3-(1-methyl-2-oxidanylidene-8-phenoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(1-methyl-2-oxidanylidene-8-phenoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(1-methyl-2-oxo-8-phenoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(1-methyl-2-oxo-8-phenoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(1-methyl-2-oxo-8-phenoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-1-methyl-8-phenoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C29H21N3O2 MolecularWeight: 443.49594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3)OC4=CC=CC=C4)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3)OC4=CC=CC=C4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H21N3O2/c1-32-26-17-27(34-23-13-6-3-7-14-23)24(21-10-4-2-5-11-21)16-25(26)29(31-19-28(32)33)22-12-8-9-20(15-22)18-30/h2-17H,19H2,1H3