1-(3-chloranyl-2-methyl-phenyl)-N-(4-fluoranyl-3-nitro-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-N-(4-fluoranyl-3-nitro-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-chloro-2-methyl-phenyl)-N-(4-fluoro-3-nitro-phenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: 1-(3-chloro-2-methylphenyl)-N-(4-fluoro-3-nitrophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-chloro-2-methylphenyl)-N-(4-fluoro-3-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chloro-2-methyl-phenyl)-N-(4-fluoro-3-nitro-phenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H21ClFN5O3 MolecularWeight: 457.885243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4CCNCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4CCNCC4

InChI

InChI=1S/C22H21ClFN5O3/c1-13-17(23)3-2-4-19(13)28-21(14-7-9-25-10-8-14)16(12-26-28)22(30)27-15-5-6-18(24)20(11-15)29(31)32/h2-6,11-12,14,25H,7-10H2,1H3,(H,27,30)