5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3,4-diphenyl-1H-pyridazin-6-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3,4-diphenyl-1H-pyridazin-6-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3,4-diphenyl-1H-pyridazin-6-one CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3,4-diphenyl-1H-pyridazin-6-one IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3,4-diphenyl-1H-pyridazin-6-one Traditional Name: 3,4-diphenyl-5-(4-piperonylpiperazine-1-carbonyl)-1H-pyridazin-6-one Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NNC4=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NNC4=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N4O4/c34-28-26(25(21-7-3-1-4-8-21)27(30-31-28)22-9-5-2-6-10-22)29(35)33-15-13-32(14-16-33)18-20-11-12-23-24(17-20)37-19-36-23/h1-12,17H,13-16,18-19H2,(H,31,34)