1-chloranyl-3-(4-phenylmethoxybutyl)isoquinoline

Systemtic Name: 1-chloranyl-3-(4-phenylmethoxybutyl)isoquinoline Openeye Name: 3-(4-benzyloxybutyl)-1-chloro-isoquinoline CAS Name: 1-chloro-3-(4-phenylmethoxybutyl)isoquinoline IUPAC Name: 1-chloro-3-(4-phenylmethoxybutyl)isoquinoline Traditional Name: 3-(4-benzoxybutyl)-1-chloro-isoquinoline Formula: C20H20ClNO MolecularWeight: 325.8319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCC2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C20H20ClNO/c21-20-19-12-5-4-10-17(19)14-18(22-20)11-6-7-13-23-15-16-8-2-1-3-9-16/h1-5,8-10,12,14H,6-7,11,13,15H2