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

Systemtic Name: N-(3-cyanophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C21H20F3N5O3 MolecularWeight: 447.41041

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N5O3/c22-21(23,24)16-4-5-18(19(13-16)29(31)32)28-10-8-27(9-11-28)7-6-20(30)26-17-3-1-2-15(12-17)14-25/h1-5,12-13H,6-11H2,(H,26,30)