N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C25H32N4O4/c1-33-21-8-6-7-20(17-21)24(27-13-4-5-14-27)18-26-25(30)19-11-15-28(16-12-19)22-9-2-3-10-23(22)29(31)32/h2-3,6-10,17,19,24H,4-5,11-16,18H2,1H3,(H,26,30)