1-(4-bromanyl-2,6-dimethyl-phenyl)-3,5-diethyl-3-(methoxymethyl)-1-(1H-pyrazol-4-ylmethyl)-2,4-dihydroisoquinoline

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3,5-diethyl-3-(methoxymethyl)-1-(1H-pyrazol-4-ylmethyl)-2,4-dihydroisoquinoline Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3,5-diethyl-3-(methoxymethyl)-1-(1H-pyrazol-4-ylmethyl)-2,4-dihydroisoquinoline CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-3,5-diethyl-3-(methoxymethyl)-1-(1H-pyrazol-4-ylmethyl)-2,4-dihydroisoquinoline IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3,5-diethyl-3-(methoxymethyl)-1-(1H-pyrazol-4-ylmethyl)-2,4-dihydroisoquinoline Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3,5-diethyl-3-(methoxymethyl)-1-(1H-pyrazol-4-ylmethyl)-2,4-dihydroisoquinoline Formula: C27H34BrN3O MolecularWeight: 496.48236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1CC(NC2(CC3=CNN=C3)C4=C(C=C(C=C4C)Br)C)(CC)COC

Isomeric SMILES

CCC1=CC=CC2=C1CC(NC2(CC3=CNN=C3)C4=C(C=C(C=C4C)Br)C)(CC)COC

InChI

InChI=1S/C27H34BrN3O/c1-6-21-9-8-10-24-23(21)14-26(7-2,17-32-5)31-27(24,13-20-15-29-30-16-20)25-18(3)11-22(28)12-19(25)4/h8-12,15-16,31H,6-7,13-14,17H2,1-5H3,(H,29,30)