tert-butyl N-[3-[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxidanylidene-1-phenyl-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxidanylidene-1-phenyl-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[cyano(3-pyridyl)methyl]-1-piperidyl]-3-oxo-1-phenyl-propyl]carbamate CAS Name: N-[3-[4-[cyano(3-pyridinyl)methyl]-1-piperidinyl]-3-oxo-1-phenylpropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate Traditional Name: N-[3-[4-[cyano(3-pyridyl)methyl]piperidino]-3-keto-1-phenyl-propyl]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)NC(CC(=O)N1CCC(CC1)C(C#N)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)N1CCC(CC1)C(C#N)C2=CN=CC=C2)C3=CC=CC=C3

InChI

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