2-methyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-4-nitro-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-methyl-4-nitro-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-4-nitro-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C17H21N5O3/c1-20-16(15(11-18-20)22(24)25)17(23)19-14-7-5-13(6-8-14)12-21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,23)