N-[(1S,2S)-2-phenylmethoxycyclohexyl]-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: N-[(1S,2S)-2-phenylmethoxycyclohexyl]-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-[(1S,2S)-2-phenylmethoxycyclohexyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide Formula: C30H38N4O3 MolecularWeight: 502.64772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CC=CCC2C(=O)N3CCN(CC3)C4=CC=CC=N4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)C2CC=CCC2C(=O)N3CCN(CC3)C4=CC=CC=N4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H38N4O3/c35-29(32-26-14-6-7-15-27(26)37-22-23-10-2-1-3-11-23)24-12-4-5-13-25(24)30(36)34-20-18-33(19-21-34)28-16-8-9-17-31-28/h1-5,8-11,16-17,24-27H,6-7,12-15,18-22H2,(H,32,35)/t24?,25?,26-,27-/m0/s1