4-methyl-3-oxidanylidene-2-(phenylmethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid

Systemtic Name: 4-methyl-3-oxidanylidene-2-(phenylmethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Openeye Name: 2-benzyl-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid CAS Name: 4-methyl-3-oxo-2-(phenylmethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: 2-benzyl-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Traditional Name: 2-benzyl-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)O)NC(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)O)NC(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c1-20-11-14-10-13(18(22)23)7-8-15(14)19-16(17(20)21)9-12-5-3-2-4-6-12/h2-8,10,16,19H,9,11H2,1H3,(H,22,23)