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

Systemtic Name: N-[(1R,2R)-2-oxidanyl-1-phenyl-cyclohexyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-hydroxy-1-phenylcyclohexyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-phenyl-cyclohexyl]-6-(3-phenylpiperazino)nicotinamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)(C2=CC=CC=C2)NC(=O)C3=CN=C(C=C3)N4CCNC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[C@]([C@@H](C1)O)(C2=CC=CC=C2)NC(=O)C3=CN=C(C=C3)N4CCNC(C4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O2/c33-25-13-7-8-16-28(25,23-11-5-2-6-12-23)31-27(34)22-14-15-26(30-19-22)32-18-17-29-24(20-32)21-9-3-1-4-10-21/h1-6,9-12,14-15,19,24-25,29,33H,7-8,13,16-18,20H2,(H,31,34)/t24?,25-,28-/m1/s1