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

Systemtic Name: 2-[5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-[5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC(=CC=C3)O)CC#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC(=CC=C3)O)CC#N

InChI

InChI=1S/C17H13N3O2/c18-8-9-20-15-7-2-1-6-14(15)17(19-11-16(20)22)12-4-3-5-13(21)10-12/h1-7,10,21H,9,11H2