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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5O/c1-14(2)23-21(28)27-11-9-26(10-12-27)20-19(15(3)24-16(4)25-20)13-17-5-7-18(22)8-6-17/h5-8,14H,9-13H2,1-4H3,(H,23,28)