N-tert-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC(C)(C)C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC(C)(C)C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H28ClN5O/c1-14-15(2)23-18(16-6-8-17(22)9-7-16)24-19(14)26-10-12-27(13-11-26)20(28)25-21(3,4)5/h6-9H,10-13H2,1-5H3,(H,25,28)