1-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]ethanone Openeye Name: 1-[4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[4-[(4-nitrobenzyl)-(2-thenyl)amino]-2-(piperazine-1-carbonyl)pyrrolidino]ethanone Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)N2CCNCC2)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)N2CCNCC2)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C23H29N5O4S/c1-17(29)27-15-20(13-22(27)23(30)25-10-8-24-9-11-25)26(16-21-3-2-12-33-21)14-18-4-6-19(7-5-18)28(31)32/h2-7,12,20,22,24H,8-11,13-16H2,1H3