[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3/c1-14-17-10-6-7-11-18(17)22-15(2)19(14)21(25)26-16(3)20(24)23-12-8-4-5-9-13-23/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3