(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(phenethylamino)-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(phenethylamino)-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(phenethylamino)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-1-[oxo(3-pyridinyl)methyl]-4-(phenethylamino)-2-piperidinecarboxamide IUPAC Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(phenethylamino)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-1-nicotinoyl-4-(phenethylamino)pipecolinamide Formula: C28H39N5O2 MolecularWeight: 477.64156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC(=O)C2CC(CCN2C(=O)C3=CN=CC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CNC(=O)[C@H]2CC(CCN2C(=O)C3=CN=CC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H39N5O2/c29-18-22-8-10-23(11-9-22)19-32-27(34)26-17-25(31-15-12-21-5-2-1-3-6-21)13-16-33(26)28(35)24-7-4-14-30-20-24/h1-7,14,20,22-23,25-26,31H,8-13,15-19,29H2,(H,32,34)/t22?,23?,25?,26-/m1/s1