2-[8-chloranyl-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanenitrile

Systemtic Name: 2-[8-chloranyl-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-[8-chloro-3-(4-hydroxybenzyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetonitrile Formula: C24H18ClN3O3 MolecularWeight: 431.87102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC#N)CC4=CC=C(C=C4)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC#N)CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H18ClN3O3/c25-17-6-9-20-22(14-17)28(11-10-26)24(31)21(12-15-4-7-18(29)8-5-15)27-23(20)16-2-1-3-19(30)13-16/h1-9,13-14,21,29-30H,11-12H2