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

Systemtic Name: 4-(3-iodanylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-iodophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-iodophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-iodophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-iodophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C23H15IN2O MolecularWeight: 462.28247

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)I

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C23H15IN2O/c24-19-8-4-7-18(14-19)21-15-23(27)26-22-13-17(11-12-20(22)25-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,26,27)