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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-fluorophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-fluorophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorobenzyl)-phenethyl-amino]pipecolinamide Formula: C31H41FN4O2 MolecularWeight: 520.681243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C31H41FN4O2/c32-25-10-6-23(7-11-25)21-35(18-16-22-4-2-1-3-5-22)28-17-19-36(31(38)24-8-9-24)29(20-28)30(37)34-27-14-12-26(33)13-15-27/h1-7,10-11,24,26-29H,8-9,12-21,33H2,(H,34,37)/t26?,27?,28?,29-/m1/s1