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

Systemtic Name: 4-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)but-3-yn-2-yl cyclopropanecarboxylate Openeye Name: [3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1-methyl-prop-2-ynyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid 4-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)but-3-yn-2-yl ester IUPAC Name: 4-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)but-3-yn-2-yl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [3-(7-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1-methyl-prop-2-ynyl] ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3Cl)C)OC(=O)C4CC4

Isomeric SMILES

CC(C#CC1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3Cl)C)OC(=O)C4CC4

InChI

InChI=1S/C20H18ClN3O3/c1-12(27-20(26)13-7-8-13)6-9-15-17-10-23(2)19(25)18-14(21)4-3-5-16(18)24(17)11-22-15/h3-5,11-13H,7-8,10H2,1-2H3