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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]heptan-1-one Formula: C29H35ClN4O MolecularWeight: 491.0674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C29H35ClN4O/c1-3-4-5-9-12-27(35)33-17-19-34(20-18-33)29-26(21-23-13-15-25(30)16-14-23)22(2)31-28(32-29)24-10-7-6-8-11-24/h6-8,10-11,13-16H,3-5,9,12,17-21H2,1-2H3