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

Systemtic Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC)CC4=CC(=CC=C4)Cl

InChI

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