(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoranyl-6-methyl-phenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoranyl-6-methyl-phenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methyl-benzoyl)piperidine-3-carboxamide CAS Name: (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-[(2-fluoro-6-methylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide Traditional Name: (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methyl-benzoyl)nipecotamide Formula: C36H44FN3O2 MolecularWeight: 569.751863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCCC4)C(=O)NC5=CC=CC(=C5)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCCC4)C(=O)NC5=CC=CC(=C5)C(C)(C)C

InChI

InChI=1S/C36H44FN3O2/c1-24-11-8-17-31(37)32(24)35(42)40-22-10-16-30(34(41)39-29-15-9-12-26(23-29)36(2,3)4)33(40)25-18-20-28(21-19-25)38-27-13-6-5-7-14-27/h8-9,11-12,15,17-21,23,27,30,33,38H,5-7,10,13-14,16,22H2,1-4H3,(H,39,41)/t30-,33-/m0/s1