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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-adamantanecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)adamantane-1-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)adamantane-1-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-14-19(20(26)25(24(14)2)18-6-4-3-5-7-18)23-21(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,23,27)