4-butoxy-3-chloranyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-5-ethoxy-benzamide

Systemtic Name: 4-butoxy-3-chloranyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-5-ethoxy-benzamide Openeye Name: 4-butoxy-3-chloro-N-[[2-(dimethylamino)-4-pyridyl]methyl]-5-ethoxy-benzamide CAS Name: 4-butoxy-3-chloro-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethoxybenzamide IUPAC Name: 4-butoxy-3-chloro-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-5-ethoxybenzamide Traditional Name: 4-butoxy-3-chloro-N-[[2-(dimethylamino)-4-pyridyl]methyl]-5-ethoxy-benzamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=NC=C2)N(C)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=NC=C2)N(C)C)OCC

InChI

InChI=1S/C21H28ClN3O3/c1-5-7-10-28-20-17(22)12-16(13-18(20)27-6-2)21(26)24-14-15-8-9-23-19(11-15)25(3)4/h8-9,11-13H,5-7,10,14H2,1-4H3,(H,24,26)