N-[N-(2-ethoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[N-(2-ethoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[N-(2-ethoxyphenyl)-N'-(4-pyridylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-ethoxyanilino)-(pyridin-4-ylmethylimino)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[N-(2-ethoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[N-o-phenetyl-N'-(4-pyridylmethyl)amidino]-piperonylamide Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=NCC2=CC=NC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=NCC2=CC=NC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N4O4/c1-2-29-19-6-4-3-5-18(19)26-23(25-14-16-9-11-24-12-10-16)27-22(28)17-7-8-20-21(13-17)31-15-30-20/h3-13H,2,14-15H2,1H3,(H2,25,26,27,28)