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

Systemtic Name: N-[N-(4-fluorophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[N-(4-fluorophenyl)-N'-(4-pyridylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-fluoroanilino)-(pyridin-4-ylmethylimino)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[N-(4-fluorophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[N-(4-fluorophenyl)-N'-(4-pyridylmethyl)amidino]-piperonylamide Formula: C21H17FN4O3 MolecularWeight: 392.383083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=NCC3=CC=NC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=NCC3=CC=NC=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O3/c22-16-2-4-17(5-3-16)25-21(24-12-14-7-9-23-10-8-14)26-20(27)15-1-6-18-19(11-15)29-13-28-18/h1-11H,12-13H2,(H2,24,25,26,27)