(5R,6S)-1-butyl-6-(2-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-piperidin-2-one

Systemtic Name: (5R,6S)-1-butyl-6-(2-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-piperidin-2-one Openeye Name: (5R,6S)-1-butyl-6-(2-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one CAS Name: (5R,6S)-1-butyl-6-(2-methoxyphenyl)-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-piperidinone IUPAC Name: (5R,6S)-1-butyl-6-(2-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one Traditional Name: (5R,6S)-1-butyl-6-(2-methoxyphenyl)-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-piperidone Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H33N5O3/c1-3-4-14-30-22(31)11-10-20(23(30)19-8-5-6-9-21(19)33-2)24(32)28-15-17-29(18-16-28)25-26-12-7-13-27-25/h5-9,12-13,20,23H,3-4,10-11,14-18H2,1-2H3/t20-,23-/m1/s1