3-azanyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-pyridin-2-yl-5H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-pyridin-2-yl-5H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(3,3-dimethyl-2-oxo-butyl)-5-(2-pyridyl)-5H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(3,3-dimethyl-2-oxobutyl)-5-(2-pyridinyl)-5H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(3,3-dimethyl-2-oxobutyl)-5-pyridin-2-yl-5H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-5H-1,4-benzodiazepin-2-one Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(N=C(C1=O)N)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(N=C(C1=O)N)C3=CC=CC=N3

InChI

InChI=1S/C20H22N4O2/c1-20(2,3)16(25)12-24-15-10-5-4-8-13(15)17(23-18(21)19(24)26)14-9-6-7-11-22-14/h4-11,17H,12H2,1-3H3,(H2,21,23)