3-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-homoveratryl-1-phenyl-pyrazole-4-carboxamide Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OC

InChI

InChI=1S/C30H35N3O3/c1-35-26-9-8-20(15-27(26)36-2)10-11-31-29(34)25-19-33(24-6-4-3-5-7-24)32-28(25)30-16-21-12-22(17-30)14-23(13-21)18-30/h3-9,15,19,21-23H,10-14,16-18H2,1-2H3,(H,31,34)