(7-methyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-chloranylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-chloranylbenzoate Openeye Name: (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (2-keto-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C23H17ClN2O3 MolecularWeight: 404.84568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN2O3/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)26-22(21(27)25-19)29-23(28)16-8-10-17(24)11-9-16/h2-13,22H,1H3,(H,25,27)