5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-1-piperidyl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-1-piperidinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)N(CCC#N)C2=NC3=CC=CC=C3O2)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)N(CCC#N)C2=NC3=CC=CC=C3O2)(C#N)C4=CC=CS4

InChI

InChI=1S/C27H33N5OS/c1-21(2)27(20-29,25-10-5-19-34-25)13-6-15-31-17-11-22(12-18-31)32(16-7-14-28)26-30-23-8-3-4-9-24(23)33-26/h3-5,8-10,19,21-22H,6-7,11-13,15-18H2,1-2H3