N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(4-phenylpiperazino)methyl]phenyl]-piperonylamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3/c29-25(20-8-11-23-24(16-20)31-18-30-23)26-21-9-6-19(7-10-21)17-27-12-14-28(15-13-27)22-4-2-1-3-5-22/h1-11,16H,12-15,17-18H2,(H,26,29)