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

Systemtic Name: N-[6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-methylpropanoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-isobutyrylpiperazino)-3-pyridyl]-piperonylamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O4/c1-14(2)21(27)25-9-7-24(8-10-25)19-6-4-16(12-22-19)23-20(26)15-3-5-17-18(11-15)29-13-28-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,26)