N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-pyrrolidino-nicotinamide Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(N=CC=C2)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(N=CC=C2)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O5/c1-28-17-12-14(16(24(26)27)13-18(17)29-2)7-9-22-20(25)15-6-5-8-21-19(15)23-10-3-4-11-23/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,22,25)