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

Systemtic Name: N-[(1R,2R)-2-phenylmethoxycyclohexyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-benzyloxycyclohexyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(1R,2R)-2-phenylmethoxycyclohexyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(1R,2R)-2-phenylmethoxycyclohexyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-benzoxycyclohexyl]-6-(3-phenylpiperazino)nicotinamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O2/c34-29(32-25-13-7-8-14-27(25)35-21-22-9-3-1-4-10-22)24-15-16-28(31-19-24)33-18-17-30-26(20-33)23-11-5-2-6-12-23/h1-6,9-12,15-16,19,25-27,30H,7-8,13-14,17-18,20-21H2,(H,32,34)/t25-,26?,27-/m1/s1