[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-[4-(1-phenylethyl)piperazino]ethyl] ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-18-22-11-7-8-12-23(22)27-19(2)25(18)26(31)32-17-24(30)29-15-13-28(14-16-29)20(3)21-9-5-4-6-10-21/h4-12,20H,13-17H2,1-3H3