1-[(6-chloranylpyridin-3-yl)methyl]azepane-2,7-dione

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]azepane-2,7-dione Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]azepane-2,7-dione CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]azepane-2,7-dione IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]azepane-2,7-dione Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]azepane-2,7-quinone Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=CN=C(C=C2)Cl

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O2/c13-10-6-5-9(7-14-10)8-15-11(16)3-1-2-4-12(15)17/h5-7H,1-4,8H2