ethyl 4-[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H21F2N3O4 MolecularWeight: 441.427346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H21F2N3O4/c1-2-32-23(31)27-11-9-26(10-12-27)21(29)18-14-28(20-8-7-15(24)13-19(20)25)22(30)17-6-4-3-5-16(17)18/h3-8,13-14H,2,9-12H2,1H3