3-methoxy-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[4-(1-piperidylmethyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-[4-(1-piperidinylmethyl)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-[4-(piperidinomethyl)phenyl]-1H-pyrazole-5-carboxamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C17H21N5O4/c1-26-17-15(22(24)25)14(19-20-17)16(23)18-13-7-5-12(6-8-13)11-21-9-3-2-4-10-21/h5-8H,2-4,9-11H2,1H3,(H,18,23)(H,19,20)