N-[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[3-(1-piperazinylmethyl)phenyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-(piperazinomethyl)phenyl]phenyl]-piperonylamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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