N-(2-cyclohexylpyrazol-3-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-cyclohexylpyrazol-3-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-cyclohexylpyrazol-3-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-cyclohexyl-3-pyrazolyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-cyclohexylpyrazol-3-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-cyclohexylpyrazol-3-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-16-10-13-25(14-11-16)19-8-7-17(15-20(19)27(29)30)22(28)24-21-9-12-23-26(21)18-5-3-2-4-6-18/h7-9,12,15-16,18H,2-6,10-11,13-14H2,1H3,(H,24,28)