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

Systemtic Name: 3-(1-adamantyl)-N-[4-(diethylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[4-(diethylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[4-(diethylamino)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[4-(diethylamino)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[4-(diethylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H36N4O MolecularWeight: 468.63304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O/c1-3-33(4-2)25-12-10-24(11-13-25)31-29(35)27-20-34(26-8-6-5-7-9-26)32-28(27)30-17-21-14-22(18-30)16-23(15-21)19-30/h5-13,20-23H,3-4,14-19H2,1-2H3,(H,31,35)