2-[5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanenitrile

Systemtic Name: 2-[5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[3-benzyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[5-(3-hydroxyphenyl)-2-oxo-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[3-benzyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-[3-benzyl-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetonitrile Formula: C24H19N3O2 MolecularWeight: 381.42656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)O)CC#N

InChI

InChI=1S/C24H19N3O2/c25-13-14-27-22-12-5-4-11-20(22)23(18-9-6-10-19(28)16-18)26-21(24(27)29)15-17-7-2-1-3-8-17/h1-12,16,21,28H,14-15H2