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

Systemtic Name: 2-ethyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-nitro-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-ethyl-4-nitro-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-ethyl-4-nitro-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C18H23N5O3/c1-2-22-17(16(12-19-22)23(25)26)18(24)20-15-8-6-14(7-9-15)13-21-10-4-3-5-11-21/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,24)