4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-(3-cyanophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide Formula: C25H25ClN6O MolecularWeight: 460.9586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN6O/c1-17-23(15-19-6-8-21(26)9-7-19)24(29-18(2)28-17)31-10-12-32(13-11-31)25(33)30-22-5-3-4-20(14-22)16-27/h3-9,14H,10-13,15H2,1-2H3,(H,30,33)