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

Systemtic Name: N-[[3-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-[(4-ethyl-1-piperazinyl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-[(4-ethylpiperazino)methyl]phenyl]benzyl]-piperonylamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N3O3/c1-2-30-11-13-31(14-12-30)19-22-6-4-8-24(16-22)23-7-3-5-21(15-23)18-29-28(32)25-9-10-26-27(17-25)34-20-33-26/h3-10,15-17H,2,11-14,18-20H2,1H3,(H,29,32)