2-[2,4-bis(fluoranyl)phenyl]-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(2,4-difluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(2,4-difluorophenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(2,4-difluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(2,4-difluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)isocarbostyril Formula: C26H21F2N3O2 MolecularWeight: 445.460646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C26H21F2N3O2/c27-18-10-11-24(23(28)16-18)31-17-22(20-8-4-5-9-21(20)26(31)33)25(32)30-14-12-29(13-15-30)19-6-2-1-3-7-19/h1-11,16-17H,12-15H2