3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-piperidin-1-yl]propan-1-one

Systemtic Name: 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-piperidin-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]propan-1-one CAS Name: 1-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-phenyl-1-piperidinyl]-3-phenyl-1-propanone IUPAC Name: 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[4-phenyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]propan-1-one Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O2/c35-26(13-12-24-8-3-1-4-9-24)32-18-14-29(15-19-32,25-10-5-2-6-11-25)27(36)33-20-22-34(23-21-33)28-30-16-7-17-31-28/h1-11,16-17H,12-15,18-23H2