(5-nitro-1-benzothiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-nitro-1-benzothiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-nitrobenzothiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-nitro-1-benzothiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-nitro-1-benzothiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-nitrobenzothiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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