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

Systemtic Name: N-butyl-4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[5-(2-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C22H30ClN5O MolecularWeight: 415.9595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3Cl)C)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C22H30ClN5O/c1-4-5-10-24-22(29)28-13-11-27(12-14-28)21-19(16(2)25-17(3)26-21)15-18-8-6-7-9-20(18)23/h6-9H,4-5,10-15H2,1-3H3,(H,24,29)