2-(8-azanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: 2-(8-azanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: 2-(8-amino-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(8-amino-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate IUPAC Name: 2-(8-amino-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(8-amino-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Formula: C19H20N3O3- MolecularWeight: 338.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)N)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)N)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C19H21N3O3/c20-15-7-6-14-12-22(9-8-13-4-2-1-3-5-13)19(25)17(11-18(23)24)21-16(14)10-15/h1-7,10,17,21H,8-9,11-12,20H2,(H,23,24)/p-1