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

Systemtic Name: N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C25H33N5O4S/c1-17(31)29-15-22(13-24(29)25(32)27-20-8-6-19(26)7-9-20)28(16-23-3-2-12-35-23)14-18-4-10-21(11-5-18)30(33)34/h2-5,10-12,19-20,22,24H,6-9,13-16,26H2,1H3,(H,27,32)