4-[3-(2,4-dimethylimidazol-1-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(2,4-dimethylimidazol-1-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(2,4-dimethylimidazol-1-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(2,4-dimethyl-1-imidazolyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(2,4-dimethylimidazol-1-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(2,4-dimethylimidazol-1-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C28H22N4O MolecularWeight: 430.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)C2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

Isomeric SMILES

CC1=CN(C(=N1)C)C2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

InChI

InChI=1S/C28H22N4O/c1-19-18-32(20(2)29-19)24-10-6-9-23(16-24)26-17-28(33)31-27-15-22(13-14-25(27)30-26)12-11-21-7-4-3-5-8-21/h3-10,13-16,18H,17H2,1-2H3,(H,31,33)