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

Systemtic Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidin-1-yl]-2-(furan-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-1-piperidyl]-2-(2-furyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-1-piperidinyl]-2-(2-furanyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidin-1-yl]-2-(furan-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]piperidino]-2-(2-furyl)-2-isopropyl-valeronitrile Formula: C27H33N5O2 MolecularWeight: 459.58322

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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=CO4

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)N(CCC#N)C2=NC3=CC=CC=C3O2)(C#N)C4=CC=CO4

InChI

InChI=1S/C27H33N5O2/c1-21(2)27(20-29,25-10-5-19-33-25)13-6-15-31-17-11-22(12-18-31)32(16-7-14-28)26-30-23-8-3-4-9-24(23)34-26/h3-5,8-10,19,21-22H,6-7,11-13,15-18H2,1-2H3