3-methyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[4-(4-phenoxyphenyl)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazino]butan-1-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-19(2)18-24(30)28-14-16-29(17-15-28)25-26-13-12-23(27-25)20-8-10-22(11-9-20)31-21-6-4-3-5-7-21/h3-13,19H,14-18H2,1-2H3