5-(3-methylphenyl)-3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazolo[4,3-c]pyridazin-6-one

Systemtic Name: 5-(3-methylphenyl)-3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazolo[4,3-c]pyridazin-6-one Openeye Name: 5-(m-tolyl)-3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazolo[4,3-c]pyridazin-6-one CAS Name: 5-(3-methylphenyl)-3-[(2-phenyl-4-quinazolinyl)amino]-1H-pyrazolo[4,3-c]pyridazin-6-one IUPAC Name: 5-(3-methylphenyl)-3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazolo[4,3-c]pyridazin-6-one Traditional Name: 5-(m-tolyl)-3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazolo[4,3-c]pyridazin-6-one Formula: C26H19N7O MolecularWeight: 445.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C=C3C(=N2)C(=NN3)NC4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C=C3C(=N2)C(=NN3)NC4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C26H19N7O/c1-16-8-7-11-18(14-16)33-22(34)15-21-23(32-33)26(31-30-21)29-25-19-12-5-6-13-20(19)27-24(28-25)17-9-3-2-4-10-17/h2-15,30H,1H3,(H,27,28,29,31)