N5-(1,3-benzodioxol-5-ylmethyl)-N3-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3,5-dicarboxamide

Systemtic Name: N5-(1,3-benzodioxol-5-ylmethyl)-N3-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3,5-dicarboxamide Openeye Name: N5-(1,3-benzodioxol-5-ylmethyl)-N3-isobutyl-1-isopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(1,3-benzodioxol-5-ylmethyl)-N3-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide IUPAC Name: 5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide Traditional Name: N-isobutyl-1-isopropyl-4-keto-N'-piperonyl-dinicotinamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C(C)C

InChI

InChI=1S/C22H27N3O5/c1-13(2)8-23-21(27)16-10-25(14(3)4)11-17(20(16)26)22(28)24-9-15-5-6-18-19(7-15)30-12-29-18/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,23,27)(H,24,28)