N-(1-adamantyl)-5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H28ClN3O/c1-14-3-5-16(6-4-14)13-27-21(24)20(15(2)26-27)22(28)25-23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,17-19H,7-13H2,1-2H3,(H,25,28)