N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-2-piperazin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-2-piperazin-1-yl-pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-2-piperazin-1-yl-pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-2-(1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-2-piperazin-1-ylpyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-2-piperazino-nicotinamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)(C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)N4CCNCC4

Isomeric SMILES

C1CC[C@]([C@@H](C1)O)(C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)N4CCNCC4

InChI

InChI=1S/C22H28N4O2/c27-19-10-4-5-11-22(19,17-7-2-1-3-8-17)25-21(28)18-9-6-12-24-20(18)26-15-13-23-14-16-26/h1-3,6-9,12,19,23,27H,4-5,10-11,13-16H2,(H,25,28)/t19-,22-/m1/s1