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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-piperonylamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c1-2-20(26)25-9-7-24(8-10-25)17-5-4-15(12-16(17)22)23-21(27)14-3-6-18-19(11-14)29-13-28-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,27)