[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O3/c1-17-21(14-19-13-20(25)7-8-22(19)26-17)24(30)31-16-23(29)28-11-9-27(10-12-28)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3