4-oxidanyl-N-[(3S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-3-yl]adamantane-1-carboxamide

Systemtic Name: 4-oxidanyl-N-[(3S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-3-yl]adamantane-1-carboxamide Openeye Name: 4-hydroxy-N-[(3S)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-piperidyl]adamantane-1-carboxamide CAS Name: 4-hydroxy-N-[(3S)-1-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-piperidinyl]-1-adamantanecarboxamide IUPAC Name: 4-hydroxy-N-[(3S)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-3-yl]adamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[(3S)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]-3-piperidyl]adamantane-1-carboxamide Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C25H36N6O3/c32-21-18-11-17-12-19(21)15-25(13-17,14-18)22(33)28-20-3-1-6-31(16-20)24(34)30-9-7-29(8-10-30)23-26-4-2-5-27-23/h2,4-5,17-21,32H,1,3,6-16H2,(H,28,33)/t17?,18?,19?,20-,21?,25?/m0/s1