3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one hydrochloride

Systemtic Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one hydrochloride Formula: C25H42ClNO3 MolecularWeight: 440.05888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC.Cl

Isomeric SMILES

CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC.Cl

InChI

InChI=1S/C25H41NO3.ClH/c1-3-5-18-28-19-10-11-20-29-25-13-12-23(21-22(25)4-2)24(27)14-17-26-15-8-6-7-9-16-26;/h12-13,21H,3-11,14-20H2,1-2H3;1H