2-[3-[[5-methyl-1-(phenylmethyl)pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[5-methyl-1-(phenylmethyl)pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(1-benzyl-5-methyl-pyrazol-3-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[5-methyl-1-(phenylmethyl)-3-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(1-benzyl-5-methylpyrazol-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(1-benzyl-5-methyl-pyrazol-3-yl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

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