3-[5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[1-ethyl-3-[oxo-(phenethylamino)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C21H24N6O4/c1-2-26-14-16(24-20(30)17-9-12-23-27(17)13-10-18(28)29)19(25-26)21(31)22-11-8-15-6-4-3-5-7-15/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,22,31)(H,24,30)(H,28,29)