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

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]-2-methyl-benzamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-pyridyl]-2-methyl-benzamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-pyridinyl]-2-methylbenzamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridin-3-yl]-2-methylbenzamide Traditional Name: 2-methyl-N-[6-(4-piperonyloylpiperazino)-3-pyridyl]benzamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O4/c1-17-4-2-3-5-20(17)24(30)27-19-7-9-23(26-15-19)28-10-12-29(13-11-28)25(31)18-6-8-21-22(14-18)33-16-32-21/h2-9,14-15H,10-13,16H2,1H3,(H,27,30)