1-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-5-(azepan-1-yl)pentan-1-one hydrochloride

Systemtic Name: 1-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-5-(azepan-1-yl)pentan-1-one hydrochloride Openeye Name: 1-(4-amino-5-chloro-2-methoxy-phenyl)-5-(azepan-1-yl)pentan-1-one hydrochloride CAS Name: 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(1-azepanyl)-1-pentanone hydrochloride IUPAC Name: 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(azepan-1-yl)pentan-1-one hydrochloride Traditional Name: 1-(4-amino-5-chloro-2-methoxy-phenyl)-5-(azepan-1-yl)pentan-1-one hydrochloride Formula: C18H28Cl2N2O2 MolecularWeight: 375.33312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CCCCN2CCCCCC2)Cl)N.Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CCCCN2CCCCCC2)Cl)N.Cl

InChI

InChI=1S/C18H27ClN2O2.ClH/c1-23-18-13-16(20)15(19)12-14(18)17(22)8-4-7-11-21-9-5-2-3-6-10-21;/h12-13H,2-11,20H2,1H3;1H