(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) adamantane-1-carboxylate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) adamantane-1-carboxylate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H34N2O3/c1-2-3-14-26-27(33)31(24-10-6-4-7-11-24)32(25-12-8-5-9-13-25)28(26)35-29(34)30-18-21-15-22(19-30)17-23(16-21)20-30/h4-13,21-23H,2-3,14-20H2,1H3