N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-(1-pyrazolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-ylpyrazole-4-carboxamide Traditional Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-yl-pyrazole-4-carboxamide Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)C(C(C3)C2)NC(=O)C4=C(N(N=C4)C(C)(C)C)N5C=CC=N5

Isomeric SMILES

CC(=O)NC12C[C@@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4=C(N(N=C4)C(C)(C)C)N5C=CC=N5

InChI

InChI=1S/C23H32N6O2/c1-14(30)27-23-10-15-8-16(11-23)19(17(9-15)12-23)26-20(31)18-13-25-29(22(2,3)4)21(18)28-7-5-6-24-28/h5-7,13,15-17,19H,8-12H2,1-4H3,(H,26,31)(H,27,30)/t15?,16-,17-,19?,23?/m0/s1