N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]-piperonylamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O3/c1-30(2)23-11-8-21(9-12-23)25(32-16-14-31(15-17-32)24-6-4-3-5-7-24)19-29-28(33)22-10-13-26-27(18-22)35-20-34-26/h3-13,18,25H,14-17,19-20H2,1-2H3,(H,29,33)