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

Systemtic Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-[3-(4-hydroxybenzyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetonitrile Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC#N)CC3=CC=C(C=C3)O)C4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC#N)CC3=CC=C(C=C3)O)C4=CC(=CC=C4)O

InChI

InChI=1S/C24H19N3O3/c25-12-13-27-22-7-2-1-6-20(22)23(17-4-3-5-19(29)15-17)26-21(24(27)30)14-16-8-10-18(28)11-9-16/h1-11,15,21,28-29H,13-14H2