[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H22N2O4/c1-13(18(23)21-10-6-2-3-7-11-21)25-19(24)16-12-14-8-4-5-9-15(14)17(22)20-16/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,20,22)/t13-/m1/s1