2-(4-butan-2-ylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

Systemtic Name: 2-(4-butan-2-ylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Openeye Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-sec-butylphenyl)phthalazin-1-one CAS Name: 2-(4-butan-2-ylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone IUPAC Name: 2-(4-butan-2-ylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-sec-butylphenyl)phthalazin-1-one Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)NC4=NNC(=C4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)NC4=NNC(=C4)C

InChI

InChI=1S/C22H23N5O/c1-4-14(2)16-9-11-17(12-10-16)27-22(28)19-8-6-5-7-18(19)21(26-27)23-20-13-15(3)24-25-20/h5-14H,4H2,1-3H3,(H2,23,24,25,26)