(2R)-1-(azepan-1-yl)-3-(4-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)propane-1,3-dione

Systemtic Name: (2R)-1-(azepan-1-yl)-3-(4-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)propane-1,3-dione Openeye Name: (2R)-1-(azepan-1-yl)-3-(4-bromophenyl)-2-(2-oxo-1-pyridyl)propane-1,3-dione CAS Name: (2R)-1-(1-azepanyl)-3-(4-bromophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione IUPAC Name: (2R)-1-(azepan-1-yl)-3-(4-bromophenyl)-2-(2-oxopyridin-1-yl)propane-1,3-dione Traditional Name: (2R)-1-(azepan-1-yl)-3-(4-bromophenyl)-2-(2-keto-1-pyridyl)propane-1,3-dione Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C(=O)C2=CC=C(C=C2)Br)N3C=CC=CC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H](C(=O)C2=CC=C(C=C2)Br)N3C=CC=CC3=O

InChI

InChI=1S/C20H21BrN2O3/c21-16-10-8-15(9-11-16)19(25)18(23-14-6-3-7-17(23)24)20(26)22-12-4-1-2-5-13-22/h3,6-11,14,18H,1-2,4-5,12-13H2/t18-/m1/s1