3-(1-adamantyl)-N-(1-adamantylmethyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(1-adamantylmethyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(1-adamantylmethyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(1-adamantylmethyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(1-adamantylmethyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(1-adamantylmethyl)-1-phenyl-pyrazole-4-carboxamide Formula: C31H39N3O MolecularWeight: 469.66086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CN(N=C4C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CN(N=C4C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8

InChI

InChI=1S/C31H39N3O/c35-29(32-19-30-12-20-6-21(13-30)8-22(7-20)14-30)27-18-34(26-4-2-1-3-5-26)33-28(27)31-15-23-9-24(16-31)11-25(10-23)17-31/h1-5,18,20-25H,6-17,19H2,(H,32,35)