5-[4-[2-cyanoethyl-[2-(4-fluoranylphenoxy)ethyl]amino]piperidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-cyanoethyl-[2-(4-fluoranylphenoxy)ethyl]amino]piperidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[2-cyanoethyl-[2-(4-fluorophenoxy)ethyl]amino]-1-piperidyl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-cyanoethyl-[2-(4-fluorophenoxy)ethyl]amino]-1-piperidinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-cyanoethyl-[2-(4-fluorophenoxy)ethyl]amino]piperidin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[2-cyanoethyl-[2-(4-fluorophenoxy)ethyl]amino]piperidino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C28H37FN4OS MolecularWeight: 496.682983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)N(CCC#N)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)N(CCC#N)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CS3

InChI

InChI=1S/C28H37FN4OS/c1-23(2)28(22-31,27-6-3-21-35-27)13-4-15-32-17-11-25(12-18-32)33(16-5-14-30)19-20-34-26-9-7-24(29)8-10-26/h3,6-10,21,23,25H,4-5,11-13,15-20H2,1-2H3