4-[(E)-but-2-enyl]-5-[9-(3-phenylpropyl)fluoren-9-yl]-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 4-[(E)-but-2-enyl]-5-[9-(3-phenylpropyl)fluoren-9-yl]-3-piperidin-4-yl-isoindol-1-one Openeye Name: 4-[(E)-but-2-enyl]-5-[9-(3-phenylpropyl)fluoren-9-yl]-3-(4-piperidyl)isoindol-1-one CAS Name: 4-[(E)-but-2-enyl]-5-[9-(3-phenylpropyl)-9-fluorenyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 4-[(E)-but-2-enyl]-5-[9-(3-phenylpropyl)fluoren-9-yl]-3-piperidin-4-ylisoindol-1-one Traditional Name: 4-[(E)-but-2-enyl]-5-[9-(3-phenylpropyl)fluoren-9-yl]-3-(4-piperidyl)isoindol-1-one Formula: C39H38N2O MolecularWeight: 550.73182

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C(C=CC2=C1C(=NC2=O)C3CCNCC3)C4(C5=CC=CC=C5C6=CC=CC=C64)CCCC7=CC=CC=C7

Isomeric SMILES

C/C=C/CC1=C(C=CC2=C1C(=NC2=O)C3CCNCC3)C4(C5=CC=CC=C5C6=CC=CC=C64)CCCC7=CC=CC=C7

InChI

InChI=1S/C39H38N2O/c1-2-3-15-31-35(21-20-32-36(31)37(41-38(32)42)28-22-25-40-26-23-28)39(24-11-14-27-12-5-4-6-13-27)33-18-9-7-16-29(33)30-17-8-10-19-34(30)39/h2-10,12-13,16-21,28,40H,11,14-15,22-26H2,1H3/b3-2+