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

Systemtic Name: 7-bromanyl-5-methyl-4-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Openeye Name: 4-(3-benzyloxyprop-1-ynyl)-7-bromo-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one CAS Name: 7-bromo-5-methyl-4-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one IUPAC Name: 7-bromo-5-methyl-4-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Traditional Name: 4-(3-benzoxyprop-1-ynyl)-7-bromo-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=CN=CN2C3=C(C1=O)C(=CC=C3)Br)C#CCOCC4=CC=CC=C4

Isomeric SMILES

CN1C(C2=CN=CN2C3=C(C1=O)C(=CC=C3)Br)C#CCOCC4=CC=CC=C4

InChI

InChI=1S/C22H18BrN3O2/c1-25-18(11-6-12-28-14-16-7-3-2-4-8-16)20-13-24-15-26(20)19-10-5-9-17(23)21(19)22(25)27/h2-5,7-10,13,15,18H,12,14H2,1H3