ethyl 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-fluoranyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-fluoranyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-fluoro-2-keto-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H22FN3O3/c1-2-29-22(28)20-16(13-26-11-5-7-14-6-3-4-8-19(14)26)21(27)25-18-12-15(23)9-10-17(18)24-20/h3-4,6,8-10,12,24H,2,5,7,11,13H2,1H3,(H,25,27)