N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C23H28FN3O2S MolecularWeight: 429.550723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)C4=CSC=C4

InChI

InChI=1S/C23H28FN3O2S/c24-19-5-7-20(8-6-19)27-15-18(13-22(27)28)23(29)25-14-21(17-9-12-30-16-17)26-10-3-1-2-4-11-26/h5-9,12,16,18,21H,1-4,10-11,13-15H2,(H,25,29)