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

Systemtic Name: 3-[7-(3-methoxyphenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(3-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(3-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(3-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[2-keto-7-(3-methoxyphenyl)-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C24H19N3O2 MolecularWeight: 381.42656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O2/c1-27-22-10-9-18(17-6-4-8-20(12-17)29-2)13-21(22)24(26-15-23(27)28)19-7-3-5-16(11-19)14-25/h3-13H,15H2,1-2H3