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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-piperonylamide Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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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)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O4/c28-22-17-21(29-27(33)20-7-10-24-25(16-20)35-18-34-24)8-9-23(22)30-12-14-31(15-13-30)26(32)11-6-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2,(H,29,33)/b11-6+