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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-benzyl-4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C25H28ClN5O MolecularWeight: 449.97572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN5O/c1-18-23(16-20-8-10-22(26)11-9-20)24(29-19(2)28-18)30-12-14-31(15-13-30)25(32)27-17-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,27,32)