1-[3-[[5-methyl-1-(phenylmethyl)pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[[5-methyl-1-(phenylmethyl)pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[(1-benzyl-5-methyl-pyrazol-3-yl)amino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[[5-methyl-1-(phenylmethyl)-3-pyrazolyl]amino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[(1-benzyl-5-methylpyrazol-3-yl)amino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[(1-benzyl-5-methyl-pyrazol-3-yl)amino]-3-keto-propyl]pyrazole-4-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=C(C=N3)C(=O)O

Isomeric SMILES

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

InChI

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