2-(4-tert-butylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one Openeye Name: 2-(4-tert-butylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one CAS Name: 2-(4-tert-butylphenyl)-4-(1H-pyrazol-5-ylamino)-1-phthalazinone IUPAC Name: 2-(4-tert-butylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one Traditional Name: 2-(4-tert-butylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)NC4=CC=NN4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)NC4=CC=NN4

InChI

InChI=1S/C21H21N5O/c1-21(2,3)14-8-10-15(11-9-14)26-20(27)17-7-5-4-6-16(17)19(25-26)23-18-12-13-22-24-18/h4-13H,1-3H3,(H2,22,23,24,25)