1-chloranyl-3-(2,2-dimethylbutyl)-4-phenyl-isoquinoline

Systemtic Name: 1-chloranyl-3-(2,2-dimethylbutyl)-4-phenyl-isoquinoline Openeye Name: 1-chloro-3-(2,2-dimethylbutyl)-4-phenyl-isoquinoline CAS Name: 1-chloro-3-(2,2-dimethylbutyl)-4-phenylisoquinoline IUPAC Name: 1-chloro-3-(2,2-dimethylbutyl)-4-phenylisoquinoline Traditional Name: 1-chloro-3-(2,2-dimethylbutyl)-4-phenyl-isoquinoline Formula: C21H22ClN MolecularWeight: 323.85908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)CC1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN/c1-4-21(2,3)14-18-19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)20(22)23-18/h5-13H,4,14H2,1-3H3