1-(4-cyanophenyl)-3-hex-3-enyl-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-3-hex-3-enyl-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-hex-3-enyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-hex-3-enyl-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-hex-3-enyl-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-hex-3-enyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H23N3O2/c1-4-5-6-7-8-17-18(20(24)25)19(14(2)3)23(22-17)16-11-9-15(13-21)10-12-16/h5-6,9-12,14H,4,7-8H2,1-3H3,(H,24,25)