4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)-6-nitro-phthalazin-1-one

Systemtic Name: 4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)-6-nitro-phthalazin-1-one Openeye Name: 4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)-6-nitro-phthalazin-1-one CAS Name: 4-[(2-tert-butyl-5-methyl-3-pyrazolyl)amino]-2-(4-tert-butylphenyl)-6-nitro-1-phthalazinone IUPAC Name: 4-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-(4-tert-butylphenyl)-6-nitrophthalazin-1-one Traditional Name: 4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-tert-butylphenyl)-6-nitro-phthalazin-1-one Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NN(C(=O)C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)NC2=NN(C(=O)C3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H30N6O3/c1-16-14-22(31(28-16)26(5,6)7)27-23-21-15-19(32(34)35)12-13-20(21)24(33)30(29-23)18-10-8-17(9-11-18)25(2,3)4/h8-15H,1-7H3,(H,27,29)