1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-2,2-diphenyl-ethanone Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N4O3/c34-29(28(21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-17-15-32(16-18-33)27-14-12-24(30-31-27)23-11-13-25-26(19-23)36-20-35-25/h1-14,19,28H,15-18,20H2