1-[(3-azanyl-4-chloranyl-phenyl)methyl]azepane-2,7-dione

Systemtic Name: 1-[(3-azanyl-4-chloranyl-phenyl)methyl]azepane-2,7-dione Openeye Name: 1-[(3-amino-4-chloro-phenyl)methyl]azepane-2,7-dione CAS Name: 1-[(3-amino-4-chlorophenyl)methyl]azepane-2,7-dione IUPAC Name: 1-[(3-amino-4-chlorophenyl)methyl]azepane-2,7-dione Traditional Name: 1-(3-amino-4-chloro-benzyl)azepane-2,7-quinone Formula: C13H15ClN2O2 MolecularWeight: 266.7234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2/c14-10-6-5-9(7-11(10)15)8-16-12(17)3-1-2-4-13(16)18/h5-7H,1-4,8,15H2