4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-piperidin-1-ylphenyl)phthalazin-1-one

Systemtic Name: 4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-piperidin-1-ylphenyl)phthalazin-1-one Openeye Name: 4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-[4-(1-piperidyl)phenyl]phthalazin-1-one CAS Name: 4-[(2-tert-butyl-5-methyl-3-pyrazolyl)amino]-2-[4-(1-piperidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-(4-piperidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-[(2-tert-butyl-5-methyl-pyrazol-3-yl)amino]-2-(4-piperidinophenyl)phthalazin-1-one Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)N5CCCCC5)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)N5CCCCC5)C(C)(C)C

InChI

InChI=1S/C27H32N6O/c1-19-18-24(33(29-19)27(2,3)4)28-25-22-10-6-7-11-23(22)26(34)32(30-25)21-14-12-20(13-15-21)31-16-8-5-9-17-31/h6-7,10-15,18H,5,8-9,16-17H2,1-4H3,(H,28,30)