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

Systemtic Name: 2-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetonitrile Formula: C24H18ClN3O2 MolecularWeight: 415.87162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O2/c25-18-9-10-20-22(15-18)28(12-11-26)24(30)21(13-16-5-2-1-3-6-16)27-23(20)17-7-4-8-19(29)14-17/h1-10,14-15,21,29H,12-13H2