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

Systemtic Name: N-(1-adamantyl)-1-(5-chloranylpentyl)-4-methyl-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-(5-chloropentyl)-4-methyl-5-phenyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-(5-chloropentyl)-4-methyl-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-(5-chloropentyl)-4-methyl-5-phenylpyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-(5-chloropentyl)-4-methyl-5-phenyl-pyrazole-3-carboxamide Formula: C26H34ClN3O MolecularWeight: 440.02066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCCl)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCCl)C5=CC=CC=C5

InChI

InChI=1S/C26H34ClN3O/c1-18-23(25(31)28-26-15-19-12-20(16-26)14-21(13-19)17-26)29-30(11-7-3-6-10-27)24(18)22-8-4-2-5-9-22/h2,4-5,8-9,19-21H,3,6-7,10-17H2,1H3,(H,28,31)