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

Systemtic Name: N-[N-(4-chloranyl-2-methyl-phenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[N-(4-chloro-2-methyl-phenyl)-N'-(4-pyridylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-chloro-2-methylanilino)-(pyridin-4-ylmethylimino)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[N-(4-chloro-2-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[N-(4-chloro-2-methyl-phenyl)-N'-(4-pyridylmethyl)amidino]-piperonylamide Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=NCC2=CC=NC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=NCC2=CC=NC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19ClN4O3/c1-14-10-17(23)3-4-18(14)26-22(25-12-15-6-8-24-9-7-15)27-21(28)16-2-5-19-20(11-16)30-13-29-19/h2-11H,12-13H2,1H3,(H2,25,26,27,28)