N-[1-(1-adamantyl)propyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(4-tert-butylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-5-25(28-15-19-12-20(16-28)14-21(13-19)17-28)29-26(32)24-10-11-31(30-24)18-33-23-8-6-22(7-9-23)27(2,3)4/h6-11,19-21,25H,5,12-18H2,1-4H3,(H,29,32)