7-bromanyl-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Systemtic Name: 7-bromanyl-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Openeye Name: 7-bromo-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one CAS Name: 7-bromo-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one IUPAC Name: 7-bromo-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Traditional Name: 7-bromo-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Formula: C20H14BrN3O MolecularWeight: 392.24866

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Br)C#CC4=CC=CC=C4

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Br)C#CC4=CC=CC=C4

InChI

InChI=1S/C20H14BrN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3