tert-butyl N-[1-oxidanylidene-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]carbamate CAS Name: N-[1-oxo-3-phenyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]carbamic acid tert-butyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O3/c1-22(2,3)30-21(29)25-18(16-17-8-5-4-6-9-17)19(28)26-12-14-27(15-13-26)20-23-10-7-11-24-20/h4-11,18H,12-16H2,1-3H3,(H,25,29)