(phenylmethyl) 3-(3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate

Systemtic Name: (phenylmethyl) 3-(3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate Openeye Name: benzyl 3-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-5-phenyl-3H-1,4-benzodiazepin-1-yl)propionic acid benzyl ester Formula: C26H24N2O3 MolecularWeight: 412.48036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-19-26(30)28(17-16-24(29)31-18-20-10-4-2-5-11-20)23-15-9-8-14-22(23)25(27-19)21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3