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

Systemtic Name: 3-(1-adamantyl)-N-(furan-2-ylmethyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-furylmethyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-furanylmethyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-furfuryl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCC5=CC=CO5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCC5=CC=CO5)C6=CC=CC=C6

InChI

InChI=1S/C25H27N3O2/c29-24(26-15-21-7-4-8-30-21)22-16-28(20-5-2-1-3-6-20)27-23(22)25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,16-19H,9-15H2,(H,26,29)