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

Systemtic Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-methyl-5-pyrazol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-methyl-5-pyrazol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-methyl-5-(1-pyrazolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide Traditional Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-methyl-5-pyrazol-1-yl-pyrazole-4-carboxamide Formula: C20H26N6O2 MolecularWeight: 382.45944

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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)N5C=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2/c1-12(27)24-20-8-13-6-14(9-20)17(15(7-13)10-20)23-18(28)16-11-22-25(2)19(16)26-5-3-4-21-26/h3-5,11,13-15,17H,6-10H2,1-2H3,(H,23,28)(H,24,27)/t13?,14-,15-,17?,20?/m0/s1