N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-1-(4-ethyl-1-piperazinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-1-(4-ethylpiperazino)isoquinoline-4-carboxamide Formula: C22H21BrF2N4O MolecularWeight: 475.329146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4Br)F)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C22H21BrF2N4O/c1-2-28-7-9-29(10-8-28)21-16-6-4-3-5-15(16)17(13-26-21)22(30)27-20-18(23)11-14(24)12-19(20)25/h3-6,11-13H,2,7-10H2,1H3,(H,27,30)