1-(3-fluorophenyl)-N-(2-methoxy-5-nitro-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-fluorophenyl)-N-(2-methoxy-5-nitro-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-fluorophenyl)-N-(2-methoxy-5-nitro-phenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: 1-(3-fluorophenyl)-N-(2-methoxy-5-nitrophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-fluorophenyl)-N-(2-methoxy-5-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: 1-(3-fluorophenyl)-N-(2-methoxy-5-nitro-phenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H22FN5O4 MolecularWeight: 439.439583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4CCNCC4

InChI

InChI=1S/C22H22FN5O4/c1-32-20-6-5-17(28(30)31)12-19(20)26-22(29)18-13-25-27(16-4-2-3-15(23)11-16)21(18)14-7-9-24-10-8-14/h2-6,11-14,24H,7-10H2,1H3,(H,26,29)