1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-(2-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]heptan-1-one Formula: C24H33ClN4O MolecularWeight: 428.99802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN4O/c1-4-5-6-7-12-23(30)28-13-15-29(16-14-28)24-21(18(2)26-19(3)27-24)17-20-10-8-9-11-22(20)25/h8-11H,4-7,12-17H2,1-3H3