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

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-piperonylamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-16(2)13-22(27)26-11-9-25(10-12-26)19-6-4-18(5-7-19)24-23(28)17-3-8-20-21(14-17)30-15-29-20/h3-8,14,16H,9-13,15H2,1-2H3,(H,24,28)