1-[4-butoxy-4-(2-fluoranyl-5-methoxy-phenyl)cyclohexyl]-3-methoxy-azepane hydrochloride

Systemtic Name: 1-[4-butoxy-4-(2-fluoranyl-5-methoxy-phenyl)cyclohexyl]-3-methoxy-azepane hydrochloride Openeye Name: 1-[4-butoxy-4-(2-fluoro-5-methoxy-phenyl)cyclohexyl]-3-methoxy-azepane hydrochloride CAS Name: 1-[4-butoxy-4-(2-fluoro-5-methoxyphenyl)cyclohexyl]-3-methoxyazepane hydrochloride IUPAC Name: 1-[4-butoxy-4-(2-fluoro-5-methoxyphenyl)cyclohexyl]-3-methoxyazepane hydrochloride Traditional Name: 1-[4-butoxy-4-(2-fluoro-5-methoxy-phenyl)cyclohexyl]-3-methoxy-azepane hydrochloride Formula: C24H39ClFNO3 MolecularWeight: 444.022763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CCC(CC1)N2CCCCC(C2)OC)C3=C(C=CC(=C3)OC)F.Cl

Isomeric SMILES

CCCCOC1(CCC(CC1)N2CCCCC(C2)OC)C3=C(C=CC(=C3)OC)F.Cl

InChI

InChI=1S/C24H38FNO3.ClH/c1-4-5-16-29-24(22-17-20(27-2)9-10-23(22)25)13-11-19(12-14-24)26-15-7-6-8-21(18-26)28-3;/h9-10,17,19,21H,4-8,11-16,18H2,1-3H3;1H