5-[3-cyano-2-methyl-7-piperazin-1-yl-8-[5-(trifluoromethyl)pyridin-2-yl]oxy-octan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-cyano-2-methyl-7-piperazin-1-yl-8-[5-(trifluoromethyl)pyridin-2-yl]oxy-octan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-1-isopropyl-5-piperazin-1-yl-6-[[5-(trifluoromethyl)-2-pyridyl]oxy]hexyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-2-methyl-7-(1-piperazinyl)-8-[[5-(trifluoromethyl)-2-pyridinyl]oxy]octan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-2-methyl-7-piperazin-1-yl-8-[5-(trifluoromethyl)pyridin-2-yl]oxyoctan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-1-isopropyl-5-piperazino-6-[[5-(trifluoromethyl)-2-pyridyl]oxy]hexyl]thiophene-2-carbonitrile Formula: C25H30F3N5OS MolecularWeight: 505.59881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=NC=C(C=C1)C(F)(F)F)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=NC=C(C=C1)C(F)(F)F)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H30F3N5OS/c1-18(2)24(17-30,22-7-6-21(14-29)35-22)9-3-4-20(33-12-10-31-11-13-33)16-34-23-8-5-19(15-32-23)25(26,27)28/h5-8,15,18,20,31H,3-4,9-13,16H2,1-2H3