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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C27H31ClN4O MolecularWeight: 463.01424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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