2-[3-[(2-ethylpyrazol-3-yl)methyl-phenethyl-amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(2-ethylpyrazol-3-yl)methyl-phenethyl-amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(2-ethylpyrazol-3-yl)methyl-phenethyl-amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(2-ethyl-3-pyrazolyl)methyl-phenethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(2-ethylpyrazol-3-yl)methyl-phenethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(2-ethylpyrazol-3-yl)methyl-phenethyl-amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)CN(CCC2=CC=CC=C2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)CN(CCC2=CC=CC=C2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C21H25N5O3/c1-2-25-18(8-12-22-25)16-24(14-10-17-6-4-3-5-7-17)20(27)11-15-26-19(21(28)29)9-13-23-26/h3-9,12-13H,2,10-11,14-16H2,1H3,(H,28,29)