4-(5-fluoranyl-2-pyridin-2-yl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 4-(5-fluoranyl-2-pyridin-2-yl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-4-[5-fluoro-2-(2-pyridyl)-1H-indol-3-yl]butan-1-one CAS Name: 4-[5-fluoro-2-(2-pyridinyl)-1H-indol-3-yl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-benzylpiperidino)-4-[5-fluoro-2-(2-pyridyl)-1H-indol-3-yl]butan-1-one Formula: C29H30FN3O MolecularWeight: 455.566403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=N5

InChI

InChI=1S/C29H30FN3O/c30-23-12-13-26-25(20-23)24(29(32-26)27-10-4-5-16-31-27)9-6-11-28(34)33-17-14-22(15-18-33)19-21-7-2-1-3-8-21/h1-5,7-8,10,12-13,16,20,22,32H,6,9,11,14-15,17-19H2