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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-nicotinoyl-4-[p-anisyl(2-thenyl)amino]pipecolinamide Formula: C31H39N5O3S MolecularWeight: 561.73806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=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/C31H39N5O3S/c1-39-27-12-6-22(7-13-27)20-35(21-28-5-3-17-40-28)26-14-16-36(31(38)23-4-2-15-33-19-23)29(18-26)30(37)34-25-10-8-24(32)9-11-25/h2-7,12-13,15,17,19,24-26,29H,8-11,14,16,18,20-21,32H2,1H3,(H,34,37)/t24?,25?,26?,29-/m1/s1