[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C16H19N3O3/c20-14(19-9-5-1-2-6-10-19)11-22-16(21)15-12-7-3-4-8-13(12)17-18-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,17,18)