N-(1-adamantyl)-1-(2,3-dimethylphenyl)-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(2,3-dimethylphenyl)-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(2,3-dimethylphenyl)-5-(2-morpholinoethoxy)pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-1-(2,3-dimethylphenyl)-5-[2-(4-morpholinyl)ethoxy]-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-(2,3-dimethylphenyl)-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(2,3-dimethylphenyl)-5-(2-morpholinoethoxy)pyrazole-4-carboxamide Formula: C28H38N4O3 MolecularWeight: 478.62632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=C(C=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)OCCN6CCOCC6)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=C(C=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)OCCN6CCOCC6)C

InChI

InChI=1S/C28H38N4O3/c1-19-4-3-5-25(20(19)2)32-27(35-11-8-31-6-9-34-10-7-31)24(18-29-32)26(33)30-28-15-21-12-22(16-28)14-23(13-21)17-28/h3-5,18,21-23H,6-17H2,1-2H3,(H,30,33)