N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(pyridin-2-ylmethyl)pentanediamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(pyridin-2-ylmethyl)pentanediamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-pyridylmethyl)pentanediamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-pyridinylmethyl)pentanediamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(pyridin-2-ylmethyl)pentanediamide Traditional Name: N-homoveratryl-N'-(2-pyridylmethyl)glutaramide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCC(=O)NCC2=CC=CC=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCC(=O)NCC2=CC=CC=N2)OC

InChI

InChI=1S/C21H27N3O4/c1-27-18-10-9-16(14-19(18)28-2)11-13-23-20(25)7-5-8-21(26)24-15-17-6-3-4-12-22-17/h3-4,6,9-10,12,14H,5,7-8,11,13,15H2,1-2H3,(H,23,25)(H,24,26)