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

Systemtic Name: 2-(3-methylpiperazin-1-yl)-N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-2-(3-methyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-2-(3-methylpiperazino)nicotinamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC3(CCCCC3O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N[C@]3(CCCC[C@H]3O)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2/c1-17-16-27(15-14-24-17)21-19(10-7-13-25-21)22(29)26-23(12-6-5-11-20(23)28)18-8-3-2-4-9-18/h2-4,7-10,13,17,20,24,28H,5-6,11-12,14-16H2,1H3,(H,26,29)/t17?,20-,23-/m1/s1