[3,3-dimethyl-1-oxidanylidene-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]butan-2-yl]carbamic acid

Systemtic Name: [3,3-dimethyl-1-oxidanylidene-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]butan-2-yl]carbamic acid Openeye Name: [2,2-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]propyl]carbamic acid CAS Name: [3,3-dimethyl-1-oxo-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]butan-2-yl]carbamic acid IUPAC Name: [3,3-dimethyl-1-oxo-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]butan-2-yl]carbamic acid Traditional Name: [2,2-dimethyl-1-[4-[4-(2-pyrimidyl)piperazino]benzoyl]propyl]carbamic acid Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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