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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(tetrahydrofurfuryl)amino]-1-nicotinoyl-pipecolinamide Formula: C31H40N6O3 MolecularWeight: 544.6877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H40N6O3/c32-18-22-5-7-23(8-6-22)20-36(21-28-4-2-16-40-28)27-13-15-37(31(39)24-3-1-14-34-19-24)29(17-27)30(38)35-26-11-9-25(33)10-12-26/h1,3,5-8,14,19,25-29H,2,4,9-13,15-17,20-21,33H2,(H,35,38)/t25?,26?,27?,28?,29-/m1/s1