3-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl cyclohexanecarboxylate

Systemtic Name: 3-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl cyclohexanecarboxylate Openeye Name: 3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl ester IUPAC Name: 3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 3-(7-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C#CCOC(=O)C4CCCCC4

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C#CCOC(=O)C4CCCCC4

InChI

InChI=1S/C22H22ClN3O3/c1-25-13-19-17(10-6-12-29-22(28)15-7-3-2-4-8-15)24-14-26(19)18-11-5-9-16(23)20(18)21(25)27/h5,9,11,14-15H,2-4,7-8,12-13H2,1H3