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

Systemtic Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-cyclopropyl-5-pyrazol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-cyclopropyl-5-pyrazol-1-yl-pyrazole-4-carboxamide CAS Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-cyclopropyl-5-(1-pyrazolyl)-4-pyrazolecarboxamide IUPAC Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-cyclopropyl-5-pyrazol-1-ylpyrazole-4-carboxamide Traditional Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-cyclopropyl-5-pyrazol-1-yl-pyrazole-4-carboxamide Formula: C22H28N6O2 MolecularWeight: 408.49672

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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)C5CC5)N6C=CC=N6

Isomeric SMILES

CC(=O)NC12C[C@@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4=C(N(N=C4)C5CC5)N6C=CC=N6

InChI

InChI=1S/C22H28N6O2/c1-13(29)26-22-9-14-7-15(10-22)19(16(8-14)11-22)25-20(30)18-12-24-28(17-3-4-17)21(18)27-6-2-5-23-27/h2,5-6,12,14-17,19H,3-4,7-11H2,1H3,(H,25,30)(H,26,29)/t14?,15-,16-,19?,22?/m0/s1