N'-(2-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide

Systemtic Name: N'-(2-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide Openeye Name: N'-(2-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]butanediamide CAS Name: N'-(2-fluorophenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]butanediamide IUPAC Name: N'-(2-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide Traditional Name: N'-(2-fluorophenyl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]succinamide Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NC3=CC=CC=C3F)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NC3=CC=CC=C3F)N4CCN(CC4)C

InChI

InChI=1S/C25H28FN5O2/c1-17-15-23(31-13-11-30(2)12-14-31)28-21-8-7-18(16-19(17)21)27-24(32)9-10-25(33)29-22-6-4-3-5-20(22)26/h3-8,15-16H,9-14H2,1-2H3,(H,27,32)(H,29,33)