N-(3-chloranyl-4-methoxy-phenyl)-1-(4-nitrophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(4-nitrophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(4-nitrophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(4-nitrophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O4/c1-32-20-7-2-15(12-19(20)23)26-22(29)18-13-25-27(21(18)14-8-10-24-11-9-14)16-3-5-17(6-4-16)28(30)31/h2-7,12-14,24H,8-11H2,1H3,(H,26,29)