N-[6-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-(4-veratroyl-1,4-diazepan-1-yl)-3-pyridyl]cyclohexanecarboxamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C26H34N4O4/c1-33-22-11-9-20(17-23(22)34-2)26(32)30-14-6-13-29(15-16-30)24-12-10-21(18-27-24)28-25(31)19-7-4-3-5-8-19/h9-12,17-19H,3-8,13-16H2,1-2H3,(H,28,31)