3-(1-adamantyl)-N-(2-diethylaminoethyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2-diethylaminoethyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-diethylaminoethyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-diethylaminoethyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-diethylaminoethyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-diethylaminoethyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H36N4O MolecularWeight: 420.59024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C26H36N4O/c1-3-29(4-2)11-10-27-25(31)23-18-30(22-8-6-5-7-9-22)28-24(23)26-15-19-12-20(16-26)14-21(13-19)17-26/h5-9,18-21H,3-4,10-17H2,1-2H3,(H,27,31)