1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,3-diphenyl-prop-2-en-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,3-diphenyl-prop-2-en-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,3-diphenyl-prop-2-en-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2,3-diphenyl-2-propen-1-one IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one Traditional Name: 2,3-diphenyl-1-(4-piperonylpiperazino)prop-2-en-1-one Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c30-27(24(23-9-5-2-6-10-23)17-21-7-3-1-4-8-21)29-15-13-28(14-16-29)19-22-11-12-25-26(18-22)32-20-31-25/h1-12,17-18H,13-16,19-20H2