2-[3-cyano-8-(3-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile

Systemtic Name: 2-[3-cyano-8-(3-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile Openeye Name: 2-[1-cyano-6-(3-fluorophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-3-carbonitrile CAS Name: 2-[3-cyano-8-(3-fluorophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 2-[3-cyano-8-(3-fluorophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-3-carbonitrile Traditional Name: 2-[1-cyano-6-(3-fluorophenoxy)-1-isopropyl-5-piperazino-hexyl]thiophene-3-carbonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC(=CC=C1)F)N2CCNCC2)(C#N)C3=C(C=CS3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=CC(=CC=C1)F)N2CCNCC2)(C#N)C3=C(C=CS3)C#N

InChI

InChI=1S/C25H31FN4OS/c1-19(2)25(18-28,24-20(16-27)8-14-32-24)9-4-6-22(30-12-10-29-11-13-30)17-31-23-7-3-5-21(26)15-23/h3,5,7-8,14-15,19,22,29H,4,6,9-13,17H2,1-2H3