[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl] ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=C(N=C4C=C(C=CC4=C3)F)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=C(N=C4C=C(C=CC4=C3)F)C

InChI

InChI=1S/C25H26FN3O3/c1-17-4-3-5-19(12-17)15-28-8-10-29(11-9-28)24(30)16-32-25(31)22-13-20-6-7-21(26)14-23(20)27-18(22)2/h3-7,12-14H,8-11,15-16H2,1-2H3