[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-[1-(2-pyrazinyl)-3-piperidinyl]methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(1-pyrazin-2-yl-3-piperidyl)methanone Formula: C21H23F3N6O3 MolecularWeight: 464.44093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N6O3/c22-21(23,24)16-3-4-17(18(12-16)30(32)33)27-8-10-28(11-9-27)20(31)15-2-1-7-29(14-15)19-13-25-5-6-26-19/h3-6,12-13,15H,1-2,7-11,14H2