tert-butyl N-[4-[cyano(pyridin-3-yl)methyl]-1-(3-phenylpropanoyl)piperidin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[cyano(pyridin-3-yl)methyl]-1-(3-phenylpropanoyl)piperidin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[cyano(3-pyridyl)methyl]-1-(3-phenylpropanoyl)-2-piperidyl]carbamate CAS Name: N-[4-[cyano(3-pyridinyl)methyl]-1-(1-oxo-3-phenylpropyl)-2-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[cyano(pyridin-3-yl)methyl]-1-(3-phenylpropanoyl)piperidin-2-yl]carbamate Traditional Name: N-[4-[cyano(3-pyridyl)methyl]-1-hydrocinnamoyl-2-piperidyl]carbamic acid tert-butyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(CCN1C(=O)CCC2=CC=CC=C2)C(C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC(CCN1C(=O)CCC2=CC=CC=C2)C(C#N)C3=CN=CC=C3

InChI

InChI=1S/C26H32N4O3/c1-26(2,3)33-25(32)29-23-16-20(22(17-27)21-10-7-14-28-18-21)13-15-30(23)24(31)12-11-19-8-5-4-6-9-19/h4-10,14,18,20,22-23H,11-13,15-16H2,1-3H3,(H,29,32)