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

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C25H26ClN3O3/c1-3-21-24(17(2)20-9-4-5-10-22(20)27-21)25(31)32-16-23(30)29-13-11-28(12-14-29)19-8-6-7-18(26)15-19/h4-10,15H,3,11-14,16H2,1-2H3