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

Systemtic Name: 3-(7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl decanoate Openeye Name: 3-(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl decanoate CAS Name: decanoic 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 decanoate Traditional Name: capric acid 3-(7-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)prop-2-ynyl ester Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O3/c1-3-4-5-6-7-8-9-15-23(30)32-16-11-13-20-22-17-28(2)25(31)24-19(26)12-10-14-21(24)29(22)18-27-20/h10,12,14,18H,3-9,15-17H2,1-2H3