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

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-phenethyl-adamantane-1-carboxamide Openeye Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-phenethyl-adamantane-1-carboxamide CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-phenethyl-1-adamantanecarboxamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-phenethyladamantane-1-carboxamide Traditional Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-phenethyl-adamantane-1-carboxamide Formula: C35H44N4O2 MolecularWeight: 552.74946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H44N4O2/c1-24-10-8-9-13-29(24)39-31(19-30(37-39)34(2,3)4)36-32(40)23-38(15-14-25-11-6-5-7-12-25)33(41)35-20-26-16-27(21-35)18-28(17-26)22-35/h5-13,19,26-28H,14-18,20-23H2,1-4H3,(H,36,40)