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

Systemtic Name: N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C23H29N5O4S/c24-9-10-25-22(29)21-12-19(14-27(21)23(30)17-5-6-17)26(15-20-2-1-11-33-20)13-16-3-7-18(8-4-16)28(31)32/h1-4,7-8,11,17,19,21H,5-6,9-10,12-15,24H2,(H,25,29)