[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H25N3O4/c1-15(20(26)22-11-6-2-3-7-12-22)27-19(25)10-13-23-17-9-5-4-8-16(17)18(24)14-21-23/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3/t15-/m1/s1