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

Systemtic Name: 7-chloranyl-5-methyl-3-(3-phenylmethoxybut-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Openeye Name: 3-(3-benzyloxybut-1-ynyl)-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one CAS Name: 7-chloro-5-methyl-3-(3-phenylmethoxybut-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one IUPAC Name: 7-chloro-5-methyl-3-(3-phenylmethoxybut-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Traditional Name: 3-(3-benzoxybut-1-ynyl)-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Formula: C23H20ClN3O2 MolecularWeight: 405.8768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3Cl)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(C#CC1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3Cl)C)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3O2/c1-16(29-14-17-7-4-3-5-8-17)11-12-19-21-13-26(2)23(28)22-18(24)9-6-10-20(22)27(21)15-25-19/h3-10,15-16H,13-14H2,1-2H3