3-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H35N3O3 MolecularWeight: 485.6172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-19(25-14-24(35-2)9-10-27(25)36-3)31-29(34)26-18-33(23-7-5-4-6-8-23)32-28(26)30-15-20-11-21(16-30)13-22(12-20)17-30/h4-10,14,18-22H,11-13,15-17H2,1-3H3,(H,31,34)