N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-fluorobenzyl)-(2-thenyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C25H28FN5O2S MolecularWeight: 481.585523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CC3=CC=C(C=C3)F)CC4=CC=CS4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CC3=CC=C(C=C3)F)CC4=CC=CS4

InChI

InChI=1S/C25H28FN5O2S/c26-20-7-5-18(6-8-20)15-30(17-22-4-2-12-34-22)21-13-23(24(32)29-11-9-27)31(16-21)25(33)19-3-1-10-28-14-19/h1-8,10,12,14,21,23H,9,11,13,15-17,27H2,(H,29,32)