2-[3-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-(o-tolylmethyl)pyrazol-4-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[[1-(2-methylbenzyl)pyrazol-4-yl]amino]propyl]pyrazole-3-carboxylic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H19N5O3/c1-13-4-2-3-5-14(13)11-22-12-15(10-20-22)21-17(24)7-9-23-16(18(25)26)6-8-19-23/h2-6,8,10,12H,7,9,11H2,1H3,(H,21,24)(H,25,26)