N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-fluorobenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H31FN4O2S MolecularWeight: 494.624043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=CS2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=CS2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O2S/c28-22-10-8-21(9-11-22)18-31(15-12-20-5-2-1-3-6-20)23-17-24(26(33)30-14-13-29)32(19-23)27(34)25-7-4-16-35-25/h1-11,16,23-24H,12-15,17-19,29H2,(H,30,33)