ethyl 1-(2-cyanoethyl)-3-(2-phenylethynyl)indazole-5-carboxylate

Systemtic Name: ethyl 1-(2-cyanoethyl)-3-(2-phenylethynyl)indazole-5-carboxylate Openeye Name: ethyl 1-(2-cyanoethyl)-3-(2-phenylethynyl)indazole-5-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(2-phenylethynyl)-5-indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-cyanoethyl)-3-(2-phenylethynyl)indazole-5-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-phenylethynyl)indazole-5-carboxylic acid ethyl ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(N=C2C#CC3=CC=CC=C3)CCC#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(N=C2C#CC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H17N3O2/c1-2-26-21(25)17-10-12-20-18(15-17)19(23-24(20)14-6-13-22)11-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,15H,2,6,14H2,1H3