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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-6-chloranyl-N-cyclopentyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-6-chloro-N-cyclopentyl-pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-chloro-N-cyclopentyl-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide Traditional Name: 6-chloro-N-cyclopentyl-N-[2-keto-2-(piperonylamino)ethyl]nicotinamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O4/c22-19-8-6-15(11-23-19)21(27)25(16-3-1-2-4-16)12-20(26)24-10-14-5-7-17-18(9-14)29-13-28-17/h5-9,11,16H,1-4,10,12-13H2,(H,24,26)