1-[(3-azanyl-4-chloranyl-phenyl)methyl]azepan-2-one

Systemtic Name: 1-[(3-azanyl-4-chloranyl-phenyl)methyl]azepan-2-one Openeye Name: 1-[(3-amino-4-chloro-phenyl)methyl]azepan-2-one CAS Name: 1-[(3-amino-4-chlorophenyl)methyl]-2-azepanone IUPAC Name: 1-[(3-amino-4-chlorophenyl)methyl]azepan-2-one Traditional Name: 1-(3-amino-4-chloro-benzyl)azepan-2-one Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H17ClN2O/c14-11-6-5-10(8-12(11)15)9-16-7-3-1-2-4-13(16)17/h5-6,8H,1-4,7,9,15H2