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

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H26ClN3O/c1-14-19(20(23)26(25-14)18-5-3-2-4-6-18)21(27)24-13-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,24,27)