2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-phthalazin-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-phthalazin-1-one Openeye Name: 2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-phthalazin-1-one CAS Name: 2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-1-phthalazinone IUPAC Name: 2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitrophthalazin-1-one Traditional Name: 2-(4-tert-butylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-phthalazin-1-one Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C22H22N6O3/c1-13-11-19(25-24-13)23-20-17-10-9-16(28(30)31)12-18(17)21(29)27(26-20)15-7-5-14(6-8-15)22(2,3)4/h5-12H,1-4H3,(H2,23,24,25,26)