2-[1-(4-phenoxyphenyl)ethyl]azepan-3-imine hydrochloride

Systemtic Name: 2-[1-(4-phenoxyphenyl)ethyl]azepan-3-imine hydrochloride Openeye Name: 2-[1-(4-phenoxyphenyl)ethyl]azepan-3-imine hydrochloride CAS Name: 2-[1-(4-phenoxyphenyl)ethyl]-3-azepanimine hydrochloride IUPAC Name: 2-[1-(4-phenoxyphenyl)ethyl]azepan-3-imine hydrochloride Traditional Name: [2-[1-(4-phenoxyphenyl)ethyl]azepan-3-ylidene]amine hydrochloride Formula: C20H25ClN2O MolecularWeight: 344.8783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=N)CCCCN1)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl

Isomeric SMILES

CC(C1C(=N)CCCCN1)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H24N2O.ClH/c1-15(20-19(21)9-5-6-14-22-20)16-10-12-18(13-11-16)23-17-7-3-2-4-8-17;/h2-4,7-8,10-13,15,20-22H,5-6,9,14H2,1H3;1H