N,N-diethyl-8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

Systemtic Name: N,N-diethyl-8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: N,N-diethyl-8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: N,N-diethyl-8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: N,N-diethyl-8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: N,N-diethyl-8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O/c1-4-17-12-13-20-19(14-17)22(18-10-8-7-9-11-18)25-15-21-23(26-16-28(20)21)24(29)27(5-2)6-3/h1,7-14,16H,5-6,15H2,2-3H3