N-(2-methyl-3-nitro-phenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propionamide Formula: C20H22F3N5O3 MolecularWeight: 437.41559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N5O3/c1-14-16(3-2-4-17(14)28(30)31)25-19(29)7-8-26-9-11-27(12-10-26)18-6-5-15(13-24-18)20(21,22)23/h2-6,13H,7-12H2,1H3,(H,25,29)