(5S,7R)-3-acetamido-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)adamantane-1-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C24H30N4O3/c1-15-20(21(30)28(27(15)3)19-7-5-4-6-8-19)25-22(31)23-10-17-9-18(11-23)13-24(12-17,14-23)26-16(2)29/h4-8,17-18H,9-14H2,1-3H3,(H,25,31)(H,26,29)/t17-,18+,23?,24?