N-[1-(1-adamantyl)propyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(2,6-dimethoxyphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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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=CC=C5OC)OC

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=C(C=CC=C5OC)OC

InChI

InChI=1S/C26H35N3O4/c1-4-23(26-13-17-10-18(14-26)12-19(11-17)15-26)27-25(30)20-8-9-29(28-20)16-33-24-21(31-2)6-5-7-22(24)32-3/h5-9,17-19,23H,4,10-16H2,1-3H3,(H,27,30)