N-[6-[4-(2-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(2-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-methylbenzoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-methylbenzoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-o-toluoylpiperazino)-3-pyridyl]-piperonylamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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