2-[3-[4-[phenyl(thiophen-2-yl)methylidene]piperidin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-[phenyl(thiophen-2-yl)methylidene]piperidin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[phenyl(2-thienyl)methylene]-1-piperidyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[phenyl(thiophen-2-yl)methylidene]-1-piperidinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[phenyl(thiophen-2-yl)methylidene]piperidin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-[phenyl(2-thienyl)methylene]piperidino]propyl]isoindoline-1,3-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CS3)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CS3)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H26N2O2S/c30-26-22-10-4-5-11-23(22)27(31)29(26)16-7-15-28-17-13-21(14-18-28)25(24-12-6-19-32-24)20-8-2-1-3-9-20/h1-6,8-12,19H,7,13-18H2