(2R)-N-(2-azanylethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-nicotinoyl-pipecolinamide Formula: C29H41N5O2 MolecularWeight: 491.66814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H41N5O2/c30-15-17-32-28(35)27-20-26(14-19-34(27)29(36)25-12-7-16-31-21-25)33(22-24-10-5-2-6-11-24)18-13-23-8-3-1-4-9-23/h1,3-4,7-9,12,16,21,24,26-27H,2,5-6,10-11,13-15,17-20,22,30H2,(H,32,35)/t26?,27-/m1/s1