4-butyl-5-(9-pentanoylfluoren-9-yl)-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 4-butyl-5-(9-pentanoylfluoren-9-yl)-3-piperidin-4-yl-isoindol-1-one Openeye Name: 4-butyl-5-(9-pentanoylfluoren-9-yl)-3-(4-piperidyl)isoindol-1-one CAS Name: 4-butyl-5-[9-(1-oxopentyl)-9-fluorenyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 4-butyl-5-(9-pentanoylfluoren-9-yl)-3-piperidin-4-ylisoindol-1-one Traditional Name: 4-butyl-3-(4-piperidyl)-5-(9-valerylfluoren-9-yl)isoindol-1-one Formula: C35H38N2O2 MolecularWeight: 518.68842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=NC2=O)C3CCNCC3)C4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)CCCC

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=NC2=O)C3CCNCC3)C4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)CCCC

InChI

InChI=1S/C35H38N2O2/c1-3-5-11-26-30(18-17-27-32(26)33(37-34(27)39)23-19-21-36-22-20-23)35(31(38)16-6-4-2)28-14-9-7-12-24(28)25-13-8-10-15-29(25)35/h7-10,12-15,17-18,23,36H,3-6,11,16,19-22H2,1-2H3