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

Systemtic Name: tert-butyl N-[4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]carbamate CAS Name: N-[4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]carbamate Traditional Name: N-[4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]phenyl]carbamic acid tert-butyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O3/c1-21(2,3)29-20(28)24-17-7-5-16(6-8-17)15-18(27)25-11-13-26(14-12-25)19-22-9-4-10-23-19/h4-10H,11-15H2,1-3H3,(H,24,28)