(3S)-1-(4-fluorophenyl)carbonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-1,5-dimethylhexyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-[(2S)-6-methylheptan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1,5-dimethylhexyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C21H31FN2O2 MolecularWeight: 362.481443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H31FN2O2/c1-15(2)6-4-7-16(3)23-20(25)18-8-5-13-24(14-18)21(26)17-9-11-19(22)12-10-17/h9-12,15-16,18H,4-8,13-14H2,1-3H3,(H,23,25)/t16-,18-/m0/s1