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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-piperonylamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-15(2)22(27)25-11-9-24(10-12-25)18-6-4-17(5-7-18)23-21(26)16-3-8-19-20(13-16)29-14-28-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)