N-[(2R)-2-benzamidocyclohexyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN3O3/c27-21-14-12-19(13-15-21)26(33)30-16-6-9-20(17-30)25(32)29-23-11-5-4-10-22(23)28-24(31)18-7-2-1-3-8-18/h1-3,7-8,12-15,20,22-23H,4-6,9-11,16-17H2,(H,28,31)(H,29,32)/t20?,22-,23?/m1/s1