1-(2-cyanoethyl)-3-naphthalen-1-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-naphthalen-1-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-(1-naphthyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-(1-naphthalenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-naphthalen-1-ylpyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-(1-naphthyl)pyrazole-4-carboxylic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NN(C=C3C(=O)O)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN(C=C3C(=O)O)CCC#N

InChI

InChI=1S/C17H13N3O2/c18-9-4-10-20-11-15(17(21)22)16(19-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,11H,4,10H2,(H,21,22)