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

Systemtic Name: N-[N-(3-chlorophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[N-(3-chlorophenyl)-N'-(4-pyridylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3-chloroanilino)-(pyridin-4-ylmethylimino)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[N-(3-chlorophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[N-(3-chlorophenyl)-N'-(4-pyridylmethyl)amidino]-piperonylamide Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O3/c22-16-2-1-3-17(11-16)25-21(24-12-14-6-8-23-9-7-14)26-20(27)15-4-5-18-19(10-15)29-13-28-18/h1-11H,12-13H2,(H2,24,25,26,27)