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

Systemtic Name: 3-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl cyclopropanecarboxylate Openeye Name: 3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic 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 cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid 3-(7-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl ester Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C#CCOC(=O)C4CC4

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C#CCOC(=O)C4CC4

InChI

InChI=1S/C19H16ClN3O3/c1-22-10-16-14(5-3-9-26-19(25)12-7-8-12)21-11-23(16)15-6-2-4-13(20)17(15)18(22)24/h2,4,6,11-12H,7-10H2,1H3