6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methyl-N-prop-2-enyl-hexan-1-amine

Systemtic Name: 6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methyl-N-prop-2-enyl-hexan-1-amine Openeye Name: N-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-N-methyl-hexan-1-amine CAS Name: 6-[[1-(4-bromophenyl)-6-isoquinolinyl]oxy]-N-methyl-N-prop-2-enyl-1-hexanamine IUPAC Name: 6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine Traditional Name: allyl-[6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]hexyl]-methyl-amine Formula: C25H29BrN2O MolecularWeight: 453.41456

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC2=C(C=C1)C(=NC=C2)C3=CC=C(C=C3)Br)CC=C

Isomeric SMILES

CN(CCCCCCOC1=CC2=C(C=C1)C(=NC=C2)C3=CC=C(C=C3)Br)CC=C

InChI

InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3