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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN4O/c1-4-24(22-9-7-6-8-10-22)28(34)33-17-15-32(16-18-33)27-25(26(5-2)30-20(3)31-27)19-21-11-13-23(29)14-12-21/h6-14,24H,4-5,15-19H2,1-3H3