1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)(C)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)(C)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN4O/c1-20-24(18-21-10-12-23(29)13-11-21)27(31-26(30-20)22-8-6-5-7-9-22)33-16-14-32(15-17-33)25(34)19-28(2,3)4/h5-13H,14-19H2,1-4H3