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

Systemtic Name: 3,3-dimethyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]-3,3-dimethyl-butan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O/c1-21-24(19-22-11-7-5-8-12-22)27(30-26(29-21)23-13-9-6-10-14-23)32-17-15-31(16-18-32)25(33)20-28(2,3)4/h5-14H,15-20H2,1-4H3