8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

Systemtic Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Openeye Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid CAS Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid IUPAC Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Traditional Name: 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Formula: C20H13N3O2 MolecularWeight: 327.33612

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H13N3O2/c1-2-13-8-9-16-15(10-13)18(14-6-4-3-5-7-14)21-11-17-19(20(24)25)22-12-23(16)17/h1,3-10,12H,11H2,(H,24,25)