6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-ethyl-N-veratryl-nicotinamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3/c1-4-25(17-18-9-11-20(28-2)21(15-18)29-3)23(27)19-10-12-22(24-16-19)26-13-7-5-6-8-14-26/h9-12,15-16H,4-8,13-14,17H2,1-3H3