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

Systemtic Name: 8-ethynyl-N,N-bis(2-methoxyethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Openeye Name: 8-ethynyl-N,N-bis(2-methoxyethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide CAS Name: 8-ethynyl-N,N-bis(2-methoxyethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide IUPAC Name: 8-ethynyl-N,N-bis(2-methoxyethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Traditional Name: 8-ethynyl-N,N-bis(2-methoxyethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-4-19-10-11-22-21(16-19)24(20-8-6-5-7-9-20)27-17-23-25(28-18-30(22)23)26(31)29(12-14-32-2)13-15-33-3/h1,5-11,16,18H,12-15,17H2,2-3H3