3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-phthalazin-2-yl]carbonyl]benzoic acid

Systemtic Name: 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-phthalazin-2-yl]carbonyl]benzoic acid Openeye Name: 3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-phthalazine-2-carbonyl]benzoic acid CAS Name: 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-phthalazin-2-yl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-phthalazine-2-carbonyl]benzoic acid Traditional Name: 3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-phthalazine-2-carbonyl]benzoic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C20H17N5O3/c1-12-9-17(23-22-12)21-18-16-8-3-2-5-15(16)11-25(24-18)19(26)13-6-4-7-14(10-13)20(27)28/h2-10H,11H2,1H3,(H,27,28)(H2,21,22,23,24)