1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN4O/c1-4-23(20-8-6-5-7-9-20)26(32)31-16-14-30(15-17-31)25-18(2)19(3)28-24(29-25)21-10-12-22(27)13-11-21/h5-13,23H,4,14-17H2,1-3H3