N-(3-methyl-5-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)adamantane-1-carboxamide

Systemtic Name: N-(3-methyl-5-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)adamantane-1-carboxamide Openeye Name: N-(3-methyl-5-oxo-1,2-diphenyl-pyrazol-4-yl)adamantane-1-carboxamide CAS Name: N-(3-methyl-5-oxo-1,2-diphenyl-4-pyrazolyl)-1-adamantanecarboxamide IUPAC Name: N-(3-methyl-5-oxo-1,2-diphenylpyrazol-4-yl)adamantane-1-carboxamide Traditional Name: N-(3-keto-5-methyl-1,2-diphenyl-3-pyrazolin-4-yl)adamantane-1-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2/c1-18-24(28-26(32)27-15-19-12-20(16-27)14-21(13-19)17-27)25(31)30(23-10-6-3-7-11-23)29(18)22-8-4-2-5-9-22/h2-11,19-21H,12-17H2,1H3,(H,28,32)