2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-methoxyphenyl)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N5O3/c1-13-11-19(24-23-13)22-20-16-5-3-4-6-17(16)21(28)26(25-20)12-18(27)14-7-9-15(29-2)10-8-14/h3-11H,12H2,1-2H3,(H2,22,23,24,25)