ethyl 2-methyl-4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H21N5O4/c1-3-32-23(31)20-13(2)24-16-10-6-7-11-17(16)25-21(20)26-19(29)12-18-14-8-4-5-9-15(14)22(30)28-27-18/h4-11,24H,3,12H2,1-2H3,(H,28,30)(H,25,26,29)