N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide Openeye Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-methyl-adamantane-1-carboxamide CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methyladamantane-1-carboxamide Traditional Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-methyl-adamantane-1-carboxamide Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38N4O2/c1-18-8-6-7-9-22(18)32-24(13-23(30-32)27(2,3)4)29-25(33)17-31(5)26(34)28-14-19-10-20(15-28)12-21(11-19)16-28/h6-9,13,19-21H,10-12,14-17H2,1-5H3,(H,29,33)