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

Systemtic Name: 2-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetonitrile Formula: C17H12ClN3O2 MolecularWeight: 325.74908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=CC(=C2)Cl)C(=N1)C3=CC(=CC=C3)O)CC#N

Isomeric SMILES

C1C(=O)N(C2=C(C=CC(=C2)Cl)C(=N1)C3=CC(=CC=C3)O)CC#N

InChI

InChI=1S/C17H12ClN3O2/c18-12-4-5-14-15(9-12)21(7-6-19)16(23)10-20-17(14)11-2-1-3-13(22)8-11/h1-5,8-9,22H,7,10H2