N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-phenyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4-phenyl-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-4-phenylbenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-4-phenyl-benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c31-26(17-28-27(32)23-9-7-22(8-10-23)21-4-2-1-3-5-21)30-14-12-29(13-15-30)18-20-6-11-24-25(16-20)34-19-33-24/h1-11,16H,12-15,17-19H2,(H,28,32)