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

Systemtic Name: tert-butyl N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)28-19(27)23-16-7-4-6-15(14-16)17(26)24-10-12-25(13-11-24)18-21-8-5-9-22-18/h4-9,14H,10-13H2,1-3H3,(H,23,27)