(2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-fluorophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-fluorophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-fluorobenzyl)-phenethyl-amino]pipecolinamide Formula: C29H39FN4O2 MolecularWeight: 494.643963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C29H39FN4O2/c1-21(35)34-18-16-27(19-28(34)29(36)32-26-13-11-25(31)12-14-26)33(17-15-22-5-3-2-4-6-22)20-23-7-9-24(30)10-8-23/h2-10,25-28H,11-20,31H2,1H3,(H,32,36)/t25?,26?,27?,28-/m1/s1