2-[3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-13-18(14(2)24(22-13)12-15-6-4-3-5-7-15)21-17(25)9-11-23-16(19(26)27)8-10-20-23/h3-8,10H,9,11-12H2,1-2H3,(H,21,25)(H,26,27)