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

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-piperonylamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN3O4/c26-20-15-19(27-24(30)18-6-9-22-23(14-18)33-16-32-22)7-8-21(20)28-10-12-29(13-11-28)25(31)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,27,30)