1-[3-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]amino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[[1-ethyl-3-[oxo-(phenethylamino)methyl]-4-pyrazolyl]amino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]amino]-3-keto-propyl]pyrazole-4-carboxylic 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)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)CCN3C=C(C=N3)C(=O)O

InChI

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