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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(p-tolyl)adamantane-1-carboxamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C29H33N3O2/c1-19-9-11-23(12-10-19)28-14-21-13-22(15-28)17-29(16-21,18-28)27(34)30-25-20(2)31(3)32(26(25)33)24-7-5-4-6-8-24/h4-12,21-22H,13-18H2,1-3H3,(H,30,34)