4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[4-(2-hydroxyethyl)piperazino]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H21F3N4O4 MolecularWeight: 438.40035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N4O4/c21-20(22,23)15-2-1-3-16(13-15)24-19(29)14-4-5-17(18(12-14)27(30)31)26-8-6-25(7-9-26)10-11-28/h1-5,12-13,28H,6-11H2,(H,24,29)