1-butanoyl-N-[4-[(4-fluorophenyl)carbonyl-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide

Systemtic Name: 1-butanoyl-N-[4-[(4-fluorophenyl)carbonyl-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide Openeye Name: 1-butanoyl-N-[4-[(4-fluorobenzoyl)-(m-tolylmethyl)amino]cyclohexyl]piperidine-4-carboxamide CAS Name: N-[4-[[(4-fluorophenyl)-oxomethyl]-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(1-oxobutyl)-4-piperidinecarboxamide IUPAC Name: 1-butanoyl-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide Traditional Name: 1-butyryl-N-[4-[(4-fluorobenzoyl)-(3-methylbenzyl)amino]cyclohexyl]isonipecotamide Formula: C31H40FN3O3 MolecularWeight: 521.666003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(CC1)C(=O)NC2CCC(CC2)N(CC3=CC=CC(=C3)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC(=O)N1CCC(CC1)C(=O)NC2CCC(CC2)N(CC3=CC=CC(=C3)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H40FN3O3/c1-3-5-29(36)34-18-16-24(17-19-34)30(37)33-27-12-14-28(15-13-27)35(21-23-7-4-6-22(2)20-23)31(38)25-8-10-26(32)11-9-25/h4,6-11,20,24,27-28H,3,5,12-19,21H2,1-2H3,(H,33,37)