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

Systemtic Name: 3-[7-(2-chlorophenyl)-1-methyl-2-oxidanylidene-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(2-chlorophenyl)-1-methyl-2-oxo-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(2-chlorophenyl)-1-methyl-2-oxo-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(2-chlorophenyl)-1-methyl-2-oxo-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7-(2-chlorophenyl)-2-keto-1-methyl-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C29H20ClN3O2 MolecularWeight: 477.941

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3Cl)OC4=CC=CC=C4)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3Cl)OC4=CC=CC=C4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H20ClN3O2/c1-33-26-16-27(35-21-10-3-2-4-11-21)23(22-12-5-6-13-25(22)30)15-24(26)29(32-18-28(33)34)20-9-7-8-19(14-20)17-31/h2-16H,18H2,1H3