4-[2-[4-(4-cyano-5-methyl-4-thiophen-3-yl-hexyl)piperazin-1-yl]ethoxy]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-3-yl-hexyl)piperazin-1-yl]ethoxy]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-[4-[4-cyano-5-methyl-4-(3-thienyl)hexyl]piperazin-1-yl]ethoxy]-3-fluoro-benzonitrile CAS Name: 4-[2-[4-[4-cyano-5-methyl-4-(3-thiophenyl)hexyl]-1-piperazinyl]ethoxy]-3-fluorobenzonitrile IUPAC Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-3-ylhexyl)piperazin-1-yl]ethoxy]-3-fluorobenzonitrile Traditional Name: 4-[2-[4-[4-cyano-5-methyl-4-(3-thienyl)hexyl]piperazino]ethoxy]-3-fluoro-benzonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=C(C=C(C=C2)C#N)F)(C#N)C3=CSC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=C(C=C(C=C2)C#N)F)(C#N)C3=CSC=C3

InChI

InChI=1S/C25H31FN4OS/c1-20(2)25(19-28,22-6-15-32-18-22)7-3-8-29-9-11-30(12-10-29)13-14-31-24-5-4-21(17-27)16-23(24)26/h4-6,15-16,18,20H,3,7-14H2,1-2H3