N-[1-(1-adamantyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C26H35N3O2/c1-4-24(26-13-19-10-20(14-26)12-21(11-19)15-26)27-25(30)22-7-8-29(28-22)16-31-23-6-5-17(2)9-18(23)3/h5-9,19-21,24H,4,10-16H2,1-3H3,(H,27,30)