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

Systemtic Name: ethyl 4-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4NC(=C3C(=O)OCC)CC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4NC(=C3C(=O)OCC)CC

InChI

InChI=1S/C27H29N5O4/c1-4-7-16-32-26(34)18-13-9-8-12-17(18)23(31-32)25(33)30-24-22(27(35)36-6-3)19(5-2)28-20-14-10-11-15-21(20)29-24/h8-15,28H,4-7,16H2,1-3H3,(H,29,30,33)