(2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-4-propan-2-yl-3H-1,5-benzodiazepin-3-yl)hexanamide hydrochloride

Systemtic Name: (2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-4-propan-2-yl-3H-1,5-benzodiazepin-3-yl)hexanamide hydrochloride Openeye Name: (2S)-2-amino-N-(4-isopropyl-1-methyl-2-oxo-3H-1,5-benzodiazepin-3-yl)hexanamide hydrochloride CAS Name: (2S)-2-amino-N-(1-methyl-2-oxo-4-propan-2-yl-3H-1,5-benzodiazepin-3-yl)hexanamide hydrochloride IUPAC Name: (2S)-2-amino-N-(1-methyl-2-oxo-4-propan-2-yl-3H-1,5-benzodiazepin-3-yl)hexanamide hydrochloride Traditional Name: (2S)-2-amino-N-(4-isopropyl-2-keto-1-methyl-3H-1,5-benzodiazepin-3-yl)hexanamide hydrochloride Formula: C19H29ClN4O2 MolecularWeight: 380.91216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1C(=NC2=CC=CC=C2N(C1=O)C)C(C)C)N.Cl

Isomeric SMILES

CCCC[C@@H](C(=O)NC1C(=NC2=CC=CC=C2N(C1=O)C)C(C)C)N.Cl

InChI

InChI=1S/C19H28N4O2.ClH/c1-5-6-9-13(20)18(24)22-17-16(12(2)3)21-14-10-7-8-11-15(14)23(4)19(17)25;/h7-8,10-13,17H,5-6,9,20H2,1-4H3,(H,22,24);1H/t13-,17?;/m0./s1