1-(4-fluorophenyl)carbonyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[3-methyl-4-(4-methylpiperazino)phenyl]nipecotamide Formula: C25H31FN4O2 MolecularWeight: 438.537643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)N4CCN(CC4)C

InChI

InChI=1S/C25H31FN4O2/c1-18-16-22(9-10-23(18)29-14-12-28(2)13-15-29)27-24(31)20-4-3-11-30(17-20)25(32)19-5-7-21(26)8-6-19/h5-10,16,20H,3-4,11-15,17H2,1-2H3,(H,27,31)