ethyl 2-[(5-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[(5-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-4-phenyl-butanoate CAS Name: 2-[(5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(2-keto-5-methyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CN(C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CN(C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C22H27N3O3/c1-3-28-22(27)18(14-13-16-9-5-4-6-10-16)23-19-15-25(2)20-12-8-7-11-17(20)24-21(19)26/h4-12,18-19,23H,3,13-15H2,1-2H3,(H,24,26)