N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

Systemtic Name: N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-6-(propan-2-ylamino)pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-6-(isopropylamino)pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-6-(propan-2-ylamino)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-6-(propan-2-ylamino)pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-6-(isopropylamino)nicotinamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)NC2(CCCCC2O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)N[C@]2(CCCC[C@H]2O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-15(2)23-19-12-11-16(14-22-19)20(26)24-21(13-7-6-10-18(21)25)17-8-4-3-5-9-17/h3-5,8-9,11-12,14-15,18,25H,6-7,10,13H2,1-2H3,(H,22,23)(H,24,26)/t18-,21-/m1/s1