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

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-2-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-3-30-24(29)21-22(19-11-7-8-12-20(19)25(2)23(21)28)27-15-13-26(14-16-27)17-18-9-5-4-6-10-18/h4-12H,3,13-17H2,1-2H3