N-[(1S,2S)-2-phenylmethoxycyclohexyl]-2-piperazin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[(1S,2S)-2-phenylmethoxycyclohexyl]-2-piperazin-1-yl-pyridine-3-carboxamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-2-piperazin-1-yl-pyridine-3-carboxamide CAS Name: N-[(1S,2S)-2-phenylmethoxycyclohexyl]-2-(1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(1S,2S)-2-phenylmethoxycyclohexyl]-2-piperazin-1-ylpyridine-3-carboxamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-2-piperazino-nicotinamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=C(N=CC=C2)N3CCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)C2=C(N=CC=C2)N3CCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2/c28-23(19-9-6-12-25-22(19)27-15-13-24-14-16-27)26-20-10-4-5-11-21(20)29-17-18-7-2-1-3-8-18/h1-3,6-9,12,20-21,24H,4-5,10-11,13-17H2,(H,26,28)/t20-,21-/m0/s1