N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-homoveratryl-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C27H36N4O4/c1-34-23-11-10-20(19-24(23)35-2)12-14-29-26(32)21-7-3-4-8-22(21)27(33)31-17-15-30(16-18-31)25-9-5-6-13-28-25/h5-6,9-11,13,19,21-22H,3-4,7-8,12,14-18H2,1-2H3,(H,29,32)