1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]oct-2-yn-1-one

Systemtic Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]oct-2-yn-1-one Openeye Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]oct-2-yn-1-one CAS Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-2-octyn-1-one IUPAC Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]oct-2-yn-1-one Traditional Name: 1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]oct-2-yn-1-one Formula: C25H31IN2O MolecularWeight: 502.43091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(=O)C1=C(C=CC(=C1)N(C)C)CC2=C(C=C(C=C2)N(C)C)I

Isomeric SMILES

CCCCCC#CC(=O)C1=C(C=CC(=C1)N(C)C)CC2=C(C=C(C=C2)N(C)C)I

InChI

InChI=1S/C25H31IN2O/c1-6-7-8-9-10-11-25(29)23-17-21(27(2)3)14-12-19(23)16-20-13-15-22(28(4)5)18-24(20)26/h12-15,17-18H,6-9,16H2,1-5H3