1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]butan-1-one Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN4O/c1-3-7-24(32)30-14-16-31(17-15-30)26-23(18-20-8-5-4-6-9-20)19(2)28-25(29-26)21-10-12-22(27)13-11-21/h4-6,8-13H,3,7,14-18H2,1-2H3