N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H22ClN5O/c1-13-10-14(2)17(15(19)11-13)22-16(25)12-23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,25)