N-[2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(5-bromo-2-chloro-benzoyl)piperazino]ethyl]-piperonylamide Formula: C21H21BrClN3O4 MolecularWeight: 494.76614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H21BrClN3O4/c22-15-2-3-17(23)16(12-15)21(28)26-9-7-25(8-10-26)6-5-24-20(27)14-1-4-18-19(11-14)30-13-29-18/h1-4,11-12H,5-10,13H2,(H,24,27)