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

Systemtic Name: N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-piperonylamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-14(2)22(28)26-9-7-25(8-10-26)18-5-4-16(23)12-17(18)24-21(27)15-3-6-19-20(11-15)30-13-29-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)