tert-butyl N-[2-[4-[2-(2-cyanopyridin-4-yl)ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-carbamate

Systemtic Name: tert-butyl N-[2-[4-[2-(2-cyanopyridin-4-yl)ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-carbamate Openeye Name: tert-butyl N-[2-[4-[2-(2-cyano-4-pyridyl)ethyl]piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-carbamate CAS Name: N-[2-[4-[2-(2-cyano-4-pyridinyl)ethyl]-1-piperazinyl]-2-oxoethyl]-N-phenylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[2-(2-cyanopyridin-4-yl)ethyl]piperazin-1-yl]-2-oxoethyl]-N-phenylcarbamate Traditional Name: N-[2-[4-[2-(2-cyano-4-pyridyl)ethyl]piperazino]-2-keto-ethyl]-N-phenyl-carbamic acid tert-butyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CC1)CCC2=CC(=NC=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CC1)CCC2=CC(=NC=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H31N5O3/c1-25(2,3)33-24(32)30(22-7-5-4-6-8-22)19-23(31)29-15-13-28(14-16-29)12-10-20-9-11-27-21(17-20)18-26/h4-9,11,17H,10,12-16,19H2,1-3H3