7-(hydroxymethyl)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 7-(hydroxymethyl)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 7-(hydroxymethyl)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 7-(hydroxymethyl)-4-[3-(1-imidazolyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 7-(hydroxymethyl)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-imidazol-1-ylphenyl)-7-methylol-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)CO)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)CO)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C27H20N4O2/c32-17-22-15-25-26(14-20(22)10-9-19-5-2-1-3-6-19)30-27(33)16-24(29-25)21-7-4-8-23(13-21)31-12-11-28-18-31/h1-8,11-15,18,32H,16-17H2,(H,30,33)