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

Systemtic Name: 4-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)but-3-yn-2-yl ethanoate Openeye Name: [3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1-methyl-prop-2-ynyl] acetate CAS Name: acetic 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 acetate Traditional Name: acetic 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: C18H16ClN3O3 MolecularWeight: 357.79094

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3/c1-11(25-12(2)23)7-8-14-16-9-21(3)18(24)17-13(19)5-4-6-15(17)22(16)10-20-14/h4-6,10-11H,9H2,1-3H3