N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-indan-5-yl-quinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-N-indan-5-yl-cinchoninamide Formula: C29H27FN4O MolecularWeight: 466.549283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=C(C=C6)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H27FN4O/c30-22-9-12-24(13-10-22)33-14-16-34(17-15-33)28-19-26(25-6-1-2-7-27(25)32-28)29(35)31-23-11-8-20-4-3-5-21(20)18-23/h1-2,6-13,18-19H,3-5,14-17H2,(H,31,35)