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

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-phenyl-methanone Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O/c1-3-23-22(17-19-9-11-21(26)12-10-19)24(28-18(2)27-23)29-13-15-30(16-14-29)25(31)20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3