1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]-3-phenyl-prop-2-yn-1-one Formula: C26H25IN2O MolecularWeight: 508.39397

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)N(C)C)I)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)N(C)C)I)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C26H25IN2O/c1-28(2)22-13-11-20(16-21-12-14-23(29(3)4)18-25(21)27)24(17-22)26(30)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18H,16H2,1-4H3