1-[2-[4-[(3-fluoranyl-4-methyl-phenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxidanylidene-quinoline-4-carboxamide

Systemtic Name: 1-[2-[4-[(3-fluoranyl-4-methyl-phenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxidanylidene-quinoline-4-carboxamide Openeye Name: 1-[2-[4-[(3-fluoro-4-methyl-phenyl)methylamino]-1-piperidyl]ethyl]-7-methoxy-N-methyl-2-oxo-quinoline-4-carboxamide CAS Name: 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]-1-piperidinyl]ethyl]-7-methoxy-N-methyl-2-oxo-4-quinolinecarboxamide IUPAC Name: 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide Traditional Name: 1-[2-[4-[(3-fluoro-4-methyl-benzyl)amino]piperidino]ethyl]-2-keto-7-methoxy-N-methyl-cinchoninamide Formula: C27H33FN4O3 MolecularWeight: 480.574323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2CCN(CC2)CCN3C4=C(C=CC(=C4)OC)C(=CC3=O)C(=O)NC)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2CCN(CC2)CCN3C4=C(C=CC(=C4)OC)C(=CC3=O)C(=O)NC)F

InChI

InChI=1S/C27H33FN4O3/c1-18-4-5-19(14-24(18)28)17-30-20-8-10-31(11-9-20)12-13-32-25-15-21(35-3)6-7-22(25)23(16-26(32)33)27(34)29-2/h4-7,14-16,20,30H,8-13,17H2,1-3H3,(H,29,34)