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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H39N5O2S/c1-22-6-2-3-7-24(22)20-35(21-28-9-5-17-39-28)27-14-16-36(31(38)23-8-4-15-33-19-23)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