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

Systemtic Name: methyl 2-(8-azanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: methyl 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)acetic acid methyl ester IUPAC Name: methyl 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)acetic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)N)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)N)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-26-19(24)12-18-20(25)23(10-9-14-5-3-2-4-6-14)13-15-7-8-16(21)11-17(15)22-18/h2-8,11,18,22H,9-10,12-13,21H2,1H3