3-[5-(azocan-1-ylcarbonyl)pyrimidin-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide

Systemtic Name: 3-[5-(azocan-1-ylcarbonyl)pyrimidin-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide Openeye Name: 3-[5-(azocane-1-carbonyl)pyrimidin-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide CAS Name: 3-[5-[1-azocanyl(oxo)methyl]-2-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide IUPAC Name: 3-[5-(azocane-1-carbonyl)pyrimidin-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide Traditional Name: 3-[5-(azocane-1-carbonyl)pyrimidin-2-yl]-N-homoveratryl-N-methyl-benzamide Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC(=C2)C3=NC=C(C=N3)C(=O)N4CCCCCCC4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC(=C2)C3=NC=C(C=N3)C(=O)N4CCCCCCC4

InChI

InChI=1S/C30H36N4O4/c1-33(17-14-22-12-13-26(37-2)27(18-22)38-3)29(35)24-11-9-10-23(19-24)28-31-20-25(21-32-28)30(36)34-15-7-5-4-6-8-16-34/h9-13,18-21H,4-8,14-17H2,1-3H3