[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C20H18N4O3/c1-14(19(25)24(13-7-12-21)15-8-3-2-4-9-15)27-20(26)18-16-10-5-6-11-17(16)22-23-18/h2-6,8-11,14H,7,13H2,1H3,(H,22,23)