N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-6-chloranyl-N-(2-methylphenyl)pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-6-chloranyl-N-(2-methylphenyl)pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-6-chloro-N-(o-tolyl)pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-chloro-N-(2-methylphenyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide Traditional Name: 6-chloro-N-[2-keto-2-(piperonylamino)ethyl]-N-(o-tolyl)nicotinamide Formula: C23H20ClN3O4 MolecularWeight: 437.8756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3O4/c1-15-4-2-3-5-18(15)27(23(29)17-7-9-21(24)25-12-17)13-22(28)26-11-16-6-8-19-20(10-16)31-14-30-19/h2-10,12H,11,13-14H2,1H3,(H,26,28)