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

Systemtic Name: 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxidanylidene-phthalazin-2-yl]methyl]benzoic acid Openeye Name: 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxo-phthalazin-2-yl]methyl]benzoic acid CAS Name: 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxo-2-phthalazinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxophthalazin-2-yl]methyl]benzoic acid Traditional Name: 3-[[1-keto-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-2-yl]methyl]benzoic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)O

InChI

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