5-methyl-3-(3-oxidanylbut-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Systemtic Name: 5-methyl-3-(3-oxidanylbut-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Openeye Name: 3-(3-hydroxybut-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one CAS Name: 3-(3-hydroxybut-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one IUPAC Name: 3-(3-hydroxybut-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Traditional Name: 3-(3-hydroxybut-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C2CN(C(=O)C3=CC=CC=C3N2C=N1)C)O

Isomeric SMILES

CC(C#CC1=C2CN(C(=O)C3=CC=CC=C3N2C=N1)C)O

InChI

InChI=1S/C16H15N3O2/c1-11(20)7-8-13-15-9-18(2)16(21)12-5-3-4-6-14(12)19(15)10-17-13/h3-6,10-11,20H,9H2,1-2H3