(2S)-1-(azepan-1-yl)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-phenyl-propane-1,3-dione

Systemtic Name: (2S)-1-(azepan-1-yl)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-phenyl-propane-1,3-dione Openeye Name: (2S)-1-(azepan-1-yl)-2-(5-chloro-2-oxo-1-pyridyl)-3-phenyl-propane-1,3-dione CAS Name: (2S)-1-(1-azepanyl)-2-(5-chloro-2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione IUPAC Name: (2S)-1-(azepan-1-yl)-2-(5-chloro-2-oxopyridin-1-yl)-3-phenylpropane-1,3-dione Traditional Name: (2S)-1-(azepan-1-yl)-2-(5-chloro-2-keto-1-pyridyl)-3-phenyl-propane-1,3-dione Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c21-16-10-11-17(24)23(14-16)18(19(25)15-8-4-3-5-9-15)20(26)22-12-6-1-2-7-13-22/h3-5,8-11,14,18H,1-2,6-7,12-13H2/t18-/m0/s1