(3Z)-1-ethanoyl-3-[pyrrolidin-1-yl-(2-thiophen-2-ylphenyl)methylidene]piperidin-4-one

Systemtic Name: (3Z)-1-ethanoyl-3-[pyrrolidin-1-yl-(2-thiophen-2-ylphenyl)methylidene]piperidin-4-one Openeye Name: (3Z)-1-acetyl-3-[pyrrolidin-1-yl-[2-(2-thienyl)phenyl]methylene]piperidin-4-one CAS Name: (3Z)-1-acetyl-3-[1-pyrrolidinyl-(2-thiophen-2-ylphenyl)methylidene]-4-piperidinone IUPAC Name: (3Z)-1-acetyl-3-[pyrrolidin-1-yl-(2-thiophen-2-ylphenyl)methylidene]piperidin-4-one Traditional Name: (3Z)-1-acetyl-3-[pyrrolidino-[2-(2-thienyl)phenyl]methylene]-4-piperidone Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(=O)C(=C(C2=CC=CC=C2C3=CC=CS3)N4CCCC4)C1

Isomeric SMILES

CC(=O)N1CCC(=O)/C(=C(/C2=CC=CC=C2C3=CC=CS3)\N4CCCC4)/C1

InChI

InChI=1S/C22H24N2O2S/c1-16(25)24-13-10-20(26)19(15-24)22(23-11-4-5-12-23)18-8-3-2-7-17(18)21-9-6-14-27-21/h2-3,6-9,14H,4-5,10-13,15H2,1H3/b22-19-