(3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-phenyl-4-pyrimidin-5-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-phenyl-4-pyrimidin-5-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(3S)-2-oxo-3-piperidyl]-N1-phenyl-4-(pyrimidine-5-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(5-pyrimidinyl)methyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-phenyl-4-(pyrimidine-5-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(3S)-2-keto-3-piperidyl]-N-phenyl-4-(pyrimidine-5-carbonyl)piperazine-1,3-dicarboxamide Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3=CN=CN=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@H]2CN(CCN2C(=O)C3=CN=CN=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N7O4/c30-19-17(7-4-8-25-19)27-20(31)18-13-28(22(33)26-16-5-2-1-3-6-16)9-10-29(18)21(32)15-11-23-14-24-12-15/h1-3,5-6,11-12,14,17-18H,4,7-10,13H2,(H,25,30)(H,26,33)(H,27,31)/t17-,18+/m0/s1