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

Systemtic Name: 4-oxidanyl-N-[(3S)-1-(4-pyrazin-2-ylpiperazin-1-yl)carbonylpiperidin-3-yl]adamantane-1-carboxamide Openeye Name: 4-hydroxy-N-[(3S)-1-(4-pyrazin-2-ylpiperazine-1-carbonyl)-3-piperidyl]adamantane-1-carboxamide CAS Name: 4-hydroxy-N-[(3S)-1-[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]-3-piperidinyl]-1-adamantanecarboxamide IUPAC Name: 4-hydroxy-N-[(3S)-1-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-3-yl]adamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[(3S)-1-(4-pyrazin-2-ylpiperazine-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=CN=C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O3/c32-22-18-10-17-11-19(22)14-25(12-17,13-18)23(33)28-20-2-1-5-31(16-20)24(34)30-8-6-29(7-9-30)21-15-26-3-4-27-21/h3-4,15,17-20,22,32H,1-2,5-14,16H2,(H,28,33)/t17?,18?,19?,20-,22?,25?/m0/s1