[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,2-diphenylcyclopropyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,2-diphenylcyclopropyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,2-diphenylcyclopropyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,2-diphenylcyclopropyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,2-diphenylcyclopropyl)methanone Traditional Name: (2,2-diphenylcyclopropyl)-(4-piperonylpiperazino)methanone Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC4(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC4(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H28N2O3/c31-27(24-18-28(24,22-7-3-1-4-8-22)23-9-5-2-6-10-23)30-15-13-29(14-16-30)19-21-11-12-25-26(17-21)33-20-32-25/h1-12,17,24H,13-16,18-20H2