3-(1-adamantyl)-N-[3-(diethylamino)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(diethylamino)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(diethylamino)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(diethylamino)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(diethylamino)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(diethylamino)propyl]-1-phenyl-pyrazole-4-carboxamide Formula: C27H38N4O MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O/c1-3-30(4-2)12-8-11-28-26(32)24-19-31(23-9-6-5-7-10-23)29-25(24)27-16-20-13-21(17-27)15-22(14-20)18-27/h5-7,9-10,19-22H,3-4,8,11-18H2,1-2H3,(H,28,32)