2-(3-methoxyphenyl)-3,4-diphenyl-6-prop-2-enyl-pyrazolo[3,4-d]pyridazin-7-one

Systemtic Name: 2-(3-methoxyphenyl)-3,4-diphenyl-6-prop-2-enyl-pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 6-allyl-2-(3-methoxyphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-one CAS Name: 2-(3-methoxyphenyl)-3,4-diphenyl-6-prop-2-enyl-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 2-(3-methoxyphenyl)-3,4-diphenyl-6-prop-2-enylpyrazolo[3,4-d]pyridazin-7-one Traditional Name: 6-allyl-2-(3-methoxyphenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-one Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC=C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC=C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2/c1-3-17-30-27(32)25-23(24(28-30)19-11-6-4-7-12-19)26(20-13-8-5-9-14-20)31(29-25)21-15-10-16-22(18-21)33-2/h3-16,18H,1,17H2,2H3