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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-piperonylamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-2-3-21(27)26-10-8-25(9-11-26)18-6-5-16(13-17(18)23)24-22(28)15-4-7-19-20(12-15)30-14-29-19/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,24,28)