4-(3-iodanylphenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-iodanylphenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-iodophenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-iodophenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-iodophenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-iodophenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C26H21IN2O3 MolecularWeight: 536.36101

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC(=CC=C4)I

Isomeric SMILES

COCCOC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC(=CC=C4)I

InChI

InChI=1S/C26H21IN2O3/c1-31-12-13-32-25-16-24-23(15-20(25)11-10-18-6-3-2-4-7-18)29-26(30)17-22(28-24)19-8-5-9-21(27)14-19/h2-9,14-16H,12-13,17H2,1H3,(H,29,30)