(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-[3-(trifluoromethyl)benzyl]piperazino]methanone Formula: C21H17ClF3N3O3S MolecularWeight: 483.89119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClF3N3O3S/c22-18-16-5-4-15(28(30)31)11-17(16)32-19(18)20(29)27-8-6-26(7-9-27)12-13-2-1-3-14(10-13)21(23,24)25/h1-5,10-11H,6-9,12H2