5-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(1,3-diphenyl-4-pyrazolyl)methylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3/c1-26-20(18(13-24-26)22(29)30)21(28)23-12-16-14-27(17-10-6-3-7-11-17)25-19(16)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,28)(H,29,30)