5-nitro-2-[3-(2-phenoxyethoxy)-5-pyrrolidin-1-yl-pyrazol-1-yl]pyridine

Systemtic Name: 5-nitro-2-[3-(2-phenoxyethoxy)-5-pyrrolidin-1-yl-pyrazol-1-yl]pyridine Openeye Name: 5-nitro-2-[3-(2-phenoxyethoxy)-5-pyrrolidin-1-yl-pyrazol-1-yl]pyridine CAS Name: 5-nitro-2-[3-(2-phenoxyethoxy)-5-(1-pyrrolidinyl)-1-pyrazolyl]pyridine IUPAC Name: 5-nitro-2-[3-(2-phenoxyethoxy)-5-pyrrolidin-1-ylpyrazol-1-yl]pyridine Traditional Name: 5-nitro-2-[3-(2-phenoxyethoxy)-5-pyrrolidino-pyrazol-1-yl]pyridine Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NN2C3=NC=C(C=C3)[N+](=O)[O-])OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NN2C3=NC=C(C=C3)[N+](=O)[O-])OCCOC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O4/c26-25(27)16-8-9-18(21-15-16)24-20(23-10-4-5-11-23)14-19(22-24)29-13-12-28-17-6-2-1-3-7-17/h1-3,6-9,14-15H,4-5,10-13H2