5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(2-ethyl-3-pyrazolyl)methyl-phenethylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2-ethylpyrazol-3-yl)methyl-phenethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)CN(CCC2=CC=CC=C2)C(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)CN(CCC2=CC=CC=C2)C(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C20H23N5O3/c1-3-25-16(9-11-21-25)14-24(12-10-15-7-5-4-6-8-15)19(26)18-17(20(27)28)13-22-23(18)2/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,27,28)