2-(3-azanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-pyridin-4-yl-ethanamide

Systemtic Name: 2-(3-azanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-pyridin-4-yl-ethanamide Openeye Name: 2-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-pyridyl)acetamide CAS Name: 2-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-pyridin-4-ylacetamide IUPAC Name: 2-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-pyridin-4-ylacetamide Traditional Name: 2-(3-amino-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-pyridyl)acetamide Formula: C22H19N5O2 MolecularWeight: 385.41856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC4=CC=NC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC4=CC=NC=C4)N

InChI

InChI=1S/C22H19N5O2/c23-21-22(29)27(14-19(28)25-16-10-12-24-13-11-16)18-9-5-4-8-17(18)20(26-21)15-6-2-1-3-7-15/h1-13,21H,14,23H2,(H,24,25,28)