1-tert-butyl-5-(ethoxymethyl)-N-[(1S,3S)-5-oxidanyl-2-adamantyl]pyrazole-4-carboxamide

Systemtic Name: 1-tert-butyl-5-(ethoxymethyl)-N-[(1S,3S)-5-oxidanyl-2-adamantyl]pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-5-(ethoxymethyl)-N-[(1S,3S)-5-hydroxy-2-adamantyl]pyrazole-4-carboxamide CAS Name: 1-tert-butyl-5-(ethoxymethyl)-N-[(1S,3S)-5-hydroxy-2-adamantyl]-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-5-(ethoxymethyl)-N-[(1S,3S)-5-hydroxy-2-adamantyl]pyrazole-4-carboxamide Traditional Name: 1-tert-butyl-5-(ethoxymethyl)-N-[(1S,3S)-5-hydroxy-2-adamantyl]pyrazole-4-carboxamide Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=NN1C(C)(C)C)C(=O)NC2C3CC4CC2CC(C4)(C3)O

Isomeric SMILES

CCOCC1=C(C=NN1C(C)(C)C)C(=O)NC2[C@H]3CC4C[C@H]2CC(C3)(C4)O

InChI

InChI=1S/C21H33N3O3/c1-5-27-12-17-16(11-22-24(17)20(2,3)4)19(25)23-18-14-6-13-7-15(18)10-21(26,8-13)9-14/h11,13-15,18,26H,5-10,12H2,1-4H3,(H,23,25)/t13?,14-,15-,18?,21?/m0/s1