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

Systemtic Name: N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-isovalerylpiperazino)-3-pyridyl]-piperonylamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-15(2)11-21(27)26-9-7-25(8-10-26)20-6-4-17(13-23-20)24-22(28)16-3-5-18-19(12-16)30-14-29-18/h3-6,12-13,15H,7-11,14H2,1-2H3,(H,24,28)