5-(4-ethylphenyl)-1-(4-fluorophenyl)carbonyl-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: 5-(4-ethylphenyl)-1-(4-fluorophenyl)carbonyl-N-phenethyl-piperidine-3-carboxamide Openeye Name: 5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-phenethyl-piperidine-3-carboxamide CAS Name: 5-(4-ethylphenyl)-1-[(4-fluorophenyl)-oxomethyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-phenethylpiperidine-3-carboxamide Traditional Name: 5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-phenethyl-nipecotamide Formula: C29H31FN2O2 MolecularWeight: 458.567043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(CN(C2)C(=O)C3=CC=C(C=C3)F)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2CC(CN(C2)C(=O)C3=CC=C(C=C3)F)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H31FN2O2/c1-2-21-8-10-23(11-9-21)25-18-26(28(33)31-17-16-22-6-4-3-5-7-22)20-32(19-25)29(34)24-12-14-27(30)15-13-24/h3-15,25-26H,2,16-20H2,1H3,(H,31,33)