N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CC=CC=C2)CO)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(C(C1)C(=O)N[C@@H](CC2=CC=CC=C2)CO)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H34N4O3/c31-19-21(18-20-8-2-1-3-9-20)28-25(32)22-10-4-5-11-23(22)26(33)30-16-14-29(15-17-30)24-12-6-7-13-27-24/h1-3,6-9,12-13,21-23,31H,4-5,10-11,14-19H2,(H,28,32)/t21-,22?,23?/m0/s1