N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: 3-methyl-N-[6-(4-piperonyloylpiperazino)-3-pyridyl]but-2-enamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H24N4O4/c1-15(2)11-21(27)24-17-4-6-20(23-13-17)25-7-9-26(10-8-25)22(28)16-3-5-18-19(12-16)30-14-29-18/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,27)