3-(1-adamantyl)-N-(5-chloranyl-2-methyl-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(5-chloranyl-2-methyl-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(5-chloro-2-methyl-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(5-chloro-2-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(5-chloro-2-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(5-chloro-2-methyl-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28ClN3O/c1-17-7-8-21(28)12-24(17)29-26(32)23-16-31(22-5-3-2-4-6-22)30-25(23)27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,16,18-20H,9-11,13-15H2,1H3,(H,29,32)