N-(3-cyanothiophen-2-yl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]acetamide Formula: C18H16F3N5O3S MolecularWeight: 439.41155

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=CS2)C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O3S/c19-18(20,21)13-1-2-14(15(9-13)26(28)29)25-6-4-24(5-7-25)11-16(27)23-17-12(10-22)3-8-30-17/h1-3,8-9H,4-7,11H2,(H,23,27)