(2R)-N-(4-azanylcyclohexyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorobenzyl)-phenethyl-amino]-1-nicotinoyl-pipecolinamide Formula: C33H40FN5O2 MolecularWeight: 557.701403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C33H40FN5O2/c34-27-10-8-25(9-11-27)23-38(19-16-24-5-2-1-3-6-24)30-17-20-39(33(41)26-7-4-18-36-22-26)31(21-30)32(40)37-29-14-12-28(35)13-15-29/h1-11,18,22,28-31H,12-17,19-21,23,35H2,(H,37,40)/t28?,29?,30?,31-/m1/s1