3-[2-(aminomethyl)-4-chloranyl-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(aminomethyl)-4-chloranyl-phenoxy]azepan-2-one Openeye Name: 3-[2-(aminomethyl)-4-chloro-phenoxy]azepan-2-one CAS Name: 3-[2-(aminomethyl)-4-chlorophenoxy]-2-azepanone IUPAC Name: 3-[2-(aminomethyl)-4-chlorophenoxy]azepan-2-one Traditional Name: 3-[2-(aminomethyl)-4-chloro-phenoxy]azepan-2-one Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Cl)CN

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Cl)CN

InChI

InChI=1S/C13H17ClN2O2/c14-10-4-5-11(9(7-10)8-15)18-12-3-1-2-6-16-13(12)17/h4-5,7,12H,1-3,6,8,15H2,(H,16,17)