3-[2-(aminomethyl)-4,6-bis(chloranyl)phenoxy]azepan-2-one

Systemtic Name: 3-[2-(aminomethyl)-4,6-bis(chloranyl)phenoxy]azepan-2-one Openeye Name: 3-[2-(aminomethyl)-4,6-dichloro-phenoxy]azepan-2-one CAS Name: 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-azepanone IUPAC Name: 3-[2-(aminomethyl)-4,6-dichlorophenoxy]azepan-2-one Traditional Name: 3-[2-(aminomethyl)-4,6-dichloro-phenoxy]azepan-2-one Formula: C13H16Cl2N2O2 MolecularWeight: 303.18434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2CN)Cl)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2CN)Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O2/c14-9-5-8(7-16)12(10(15)6-9)19-11-3-1-2-4-17-13(11)18/h5-6,11H,1-4,7,16H2,(H,17,18)