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

Systemtic Name: 5-methyl-3-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Openeye Name: 3-(3-benzyloxyprop-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one CAS Name: 5-methyl-3-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one IUPAC Name: 5-methyl-3-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Traditional Name: 3-(3-benzoxyprop-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C#CCOCC4=CC=CC=C4

Isomeric SMILES

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C#CCOCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2/c1-24-14-21-19(11-7-13-27-15-17-8-3-2-4-9-17)23-16-25(21)20-12-6-5-10-18(20)22(24)26/h2-6,8-10,12,16H,13-15H2,1H3