N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C20H26N4O3S/c1-22(2)19(16-9-12-28-14-16)13-21-20(25)15-7-10-23(11-8-15)17-5-3-4-6-18(17)24(26)27/h3-6,9,12,14-15,19H,7-8,10-11,13H2,1-2H3,(H,21,25)