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

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridine Openeye Name: 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-pyridine CAS Name: 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine IUPAC Name: 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridine Traditional Name: 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-pyridine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-28-16-6-4-14(5-7-16)17-13-18(23-22-17)15-8-11-24(12-9-15)20-19(25(26)27)3-2-10-21-20/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,23)