ethyl 1-methyl-2-oxidanylidene-4-(4-piperidin-4-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-(4-piperidin-4-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo(4-piperidinyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 4-(4-isonipecotoylpiperazino)-2-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4CCNCC4

InChI

InChI=1S/C23H30N4O4/c1-3-31-23(30)19-20(17-6-4-5-7-18(17)25(2)22(19)29)26-12-14-27(15-13-26)21(28)16-8-10-24-11-9-16/h4-7,16,24H,3,8-15H2,1-2H3