8-ethynyl-N-[(2S)-2-oxidanylpropyl]-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 8-ethynyl-N-[(2S)-2-oxidanylpropyl]-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-N-[(2S)-2-hydroxypropyl]-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-N-[(2S)-2-hydroxypropyl]-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-N-[(2S)-2-hydroxypropyl]-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-N-[(2S)-2-hydroxypropyl]-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4)O

Isomeric SMILES

C[C@@H](CNC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4)O

InChI

InChI=1S/C23H20N4O2/c1-3-16-9-10-19-18(11-16)21(17-7-5-4-6-8-17)24-13-20-22(26-14-27(19)20)23(29)25-12-15(2)28/h1,4-11,14-15,28H,12-13H2,2H3,(H,25,29)/t15-/m0/s1