1-benzothiophen-2-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-6-15(16(12-14)26(28)29)24-7-9-25(10-8-24)19(27)18-11-13-3-1-2-4-17(13)30-18/h1-6,11-12H,7-10H2