N-(2-adamantyl)-5-(2-bromophenyl)-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-5-(2-bromophenyl)-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-5-(2-bromophenyl)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-5-(2-bromophenyl)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-5-(2-bromophenyl)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C22H26BrN3O MolecularWeight: 428.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C)C5=CC=CC=C5Br

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C)C5=CC=CC=C5Br

InChI

InChI=1S/C22H26BrN3O/c1-12-19(25-26(2)21(12)17-5-3-4-6-18(17)23)22(27)24-20-15-8-13-7-14(10-15)11-16(20)9-13/h3-6,13-16,20H,7-11H2,1-2H3,(H,24,27)