6-(3-fluoranyl-4-phenylmethoxy-phenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

Systemtic Name: 6-(3-fluoranyl-4-phenylmethoxy-phenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine Openeye Name: 6-(4-benzyloxy-3-fluoro-phenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine CAS Name: 6-(3-fluoro-4-phenylmethoxyphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-4-quinolinamine IUPAC Name: 6-(3-fluoro-4-phenylmethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine Traditional Name: [6-(4-benzoxy-3-fluoro-phenyl)-4-quinolyl]-[4-(4-methylpiperazino)phenyl]amine Formula: C33H31FN4O MolecularWeight: 518.623843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC(=C(C=C5)OCC6=CC=CC=C6)F

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC(=C(C=C5)OCC6=CC=CC=C6)F

InChI

InChI=1S/C33H31FN4O/c1-37-17-19-38(20-18-37)28-11-9-27(10-12-28)36-32-15-16-35-31-13-7-25(21-29(31)32)26-8-14-33(30(34)22-26)39-23-24-5-3-2-4-6-24/h2-16,21-22H,17-20,23H2,1H3,(H,35,36)