3-[7-(5-chloranyl-2-methoxy-phenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(5-chloranyl-2-methoxy-phenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(5-chloro-2-methoxy-phenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(5-chloro-2-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(5-chloro-2-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7-(5-chloro-2-methoxy-phenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C24H18ClN3O2 MolecularWeight: 415.87162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)C3=C(C=CC(=C3)Cl)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)C3=C(C=CC(=C3)Cl)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H18ClN3O2/c1-28-21-8-6-16(19-12-18(25)7-9-22(19)30-2)11-20(21)24(27-14-23(28)29)17-5-3-4-15(10-17)13-26/h3-12H,14H2,1-2H3