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

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-fluorobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C21H27FN4O2S MolecularWeight: 418.528083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C21H27FN4O2S/c1-15(27)26-13-18(11-20(26)21(28)24-9-8-23)25(14-19-3-2-10-29-19)12-16-4-6-17(22)7-5-16/h2-7,10,18,20H,8-9,11-14,23H2,1H3,(H,24,28)