[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C25H25ClN2O3 MolecularWeight: 436.9306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H25ClN2O3/c1-17-23(25(30)31-16-22(29)28-13-6-2-3-7-14-28)20-11-4-5-12-21(20)27-24(17)18-9-8-10-19(26)15-18/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3