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

Systemtic Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-chloranyl-pyrazole-4-carboxamide Openeye Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-chloro-pyrazole-4-carboxamide CAS Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-chloro-4-pyrazolecarboxamide IUPAC Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-chloropyrazole-4-carboxamide Traditional Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-chloro-pyrazole-4-carboxamide Formula: C20H29ClN4O2 MolecularWeight: 392.92286

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2/c1-11(26)24-20-7-12-5-13(8-20)16(14(6-12)9-20)23-18(27)15-10-22-25(17(15)21)19(2,3)4/h10,12-14,16H,5-9H2,1-4H3,(H,23,27)(H,24,26)/t12?,13-,14-,16?,20?/m0/s1