(2R)-N-(4-azanylcyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methylbenzyl)-(2-thenyl)amino]-1-nicotinoyl-pipecolinamide Formula: C31H39N5O2S MolecularWeight: 545.73866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H39N5O2S/c1-22-6-8-23(9-7-22)20-35(21-28-5-3-17-39-28)27-14-16-36(31(38)24-4-2-15-33-19-24)29(18-27)30(37)34-26-12-10-25(32)11-13-26/h2-9,15,17,19,25-27,29H,10-14,16,18,20-21,32H2,1H3,(H,34,37)/t25?,26?,27?,29-/m1/s1