2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridine

Systemtic Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridine Openeye Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-pyridine CAS Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine IUPAC Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridine Traditional Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-pyridine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-29-15-5-6-20(30-2)16(12-15)18-13-17(23-24-18)14-7-10-25(11-8-14)21-19(26(27)28)4-3-9-22-21/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,23,24)