N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(5-nitrothiophen-3-yl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(5-nitrothiophen-3-yl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(5-nitrothiophene-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-[(5-nitro-3-thiophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(5-nitrothiophene-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[1-(4-chlorobenzyl)-4-piperidyl]methyl]-1-(5-nitrothiophene-3-carbonyl)pyrrolidine-2-carboxamide Formula: C23H27ClN4O4S MolecularWeight: 491.00288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CSC(=C2)[N+](=O)[O-])C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CSC(=C2)[N+](=O)[O-])C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN4O4S/c24-19-5-3-17(4-6-19)14-26-10-7-16(8-11-26)13-25-22(29)20-2-1-9-27(20)23(30)18-12-21(28(31)32)33-15-18/h3-6,12,15-16,20H,1-2,7-11,13-14H2,(H,25,29)