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

Systemtic Name: 3-(4-butylphenyl)-1-chloranyl-isoquinoline Openeye Name: 3-(4-butylphenyl)-1-chloro-isoquinoline CAS Name: 3-(4-butylphenyl)-1-chloroisoquinoline IUPAC Name: 3-(4-butylphenyl)-1-chloroisoquinoline Traditional Name: 3-(4-butylphenyl)-1-chloro-isoquinoline Formula: C19H18ClN MolecularWeight: 295.80592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C19H18ClN/c1-2-3-6-14-9-11-15(12-10-14)18-13-16-7-4-5-8-17(16)19(20)21-18/h4-5,7-13H,2-3,6H2,1H3