2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(1-piperidylmethyl)phenyl]acetamide CAS Name: 2-(5-methyl-3,4-dinitro-1-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]acetamide IUPAC Name: 2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[4-(piperidinomethyl)phenyl]acetamide Formula: C18H22N6O5 MolecularWeight: 402.40448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)CN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)CN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5/c1-13-17(23(26)27)18(24(28)29)20-22(13)12-16(25)19-15-7-5-14(6-8-15)11-21-9-3-2-4-10-21/h5-8H,2-4,9-12H2,1H3,(H,19,25)