4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[methyl(pyridin-3-ylmethyl)amino]-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[methyl(pyridin-3-ylmethyl)amino]-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[methyl(3-pyridylmethyl)amino]phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[methyl(3-pyridinylmethyl)amino]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[methyl(pyridin-3-ylmethyl)amino]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[methyl(3-pyridylmethyl)amino]phthalazin-1-one Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)N(C)CC4=CN=CC=C4)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)N(C)CC4=CN=CC=C4)C(C)C

InChI

InChI=1S/C22H25N7O/c1-14(2)29-22(30)19-11-17(28(4)13-16-6-5-9-23-12-16)7-8-18(19)21(27-29)24-20-10-15(3)25-26-20/h5-12,14H,13H2,1-4H3,(H2,24,25,26,27)