2-(4-methylphenyl)-3,4-diphenyl-6-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one

Systemtic Name: 2-(4-methylphenyl)-3,4-diphenyl-6-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 3,4-diphenyl-2-(p-tolyl)-6-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one CAS Name: 2-(4-methylphenyl)-3,4-diphenyl-6-[2-(1-pyrrolidin-1-iumyl)ethyl]-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 2-(4-methylphenyl)-3,4-diphenyl-6-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Traditional Name: 3,4-diphenyl-2-(p-tolyl)-6-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Formula: C30H30N5O+ MolecularWeight: 476.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC[NH+]4CCCC4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC[NH+]4CCCC4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5O/c1-22-14-16-25(17-15-22)35-29(24-12-6-3-7-13-24)26-27(23-10-4-2-5-11-23)31-34(30(36)28(26)32-35)21-20-33-18-8-9-19-33/h2-7,10-17H,8-9,18-21H2,1H3/p+1