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

Systemtic Name: ethyl 2-ethyl-4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-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-ethyl-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CC3=NNC(=O)C4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CC3=NNC(=O)C4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C24H23N5O4/c1-3-16-21(24(32)33-4-2)22(26-18-12-8-7-11-17(18)25-16)27-20(30)13-19-14-9-5-6-10-15(14)23(31)29-28-19/h5-12,25H,3-4,13H2,1-2H3,(H,29,31)(H,26,27,30)