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

Systemtic Name: N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C25H28N6O4S MolecularWeight: 508.59262

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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)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C25H28N6O4S/c26-9-11-28-24(32)23-13-21(16-30(23)25(33)19-3-1-10-27-14-19)29(17-22-4-2-12-36-22)15-18-5-7-20(8-6-18)31(34)35/h1-8,10,12,14,21,23H,9,11,13,15-17,26H2,(H,28,32)