3-[8-(2-methoxyphenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-methoxyphenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(2-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(2-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(2-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H17N3O2 MolecularWeight: 367.39998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17N3O2/c1-28-22-8-3-2-7-18(22)16-9-10-19-21(12-16)26-23(27)13-20(25-19)17-6-4-5-15(11-17)14-24/h2-12H,13H2,1H3,(H,26,27)