[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H21ClN2O3 MolecularWeight: 348.82394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3N2)Cl

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-12(17(22)21-10-6-2-3-7-11-21)24-18(23)16-15(19)13-8-4-5-9-14(13)20-16/h4-5,8-9,12,20H,2-3,6-7,10-11H2,1H3