1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-3-phenyl-propan-1-one Formula: C27H31ClN4O MolecularWeight: 463.01424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H31ClN4O/c1-3-25-24(19-22-9-12-23(28)13-10-22)27(30-20(2)29-25)32-17-15-31(16-18-32)26(33)14-11-21-7-5-4-6-8-21/h4-10,12-13H,3,11,14-19H2,1-2H3