N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)COC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)COC5=CC=CC=C5

InChI

InChI=1S/C21H25N3O2/c25-20(22-21-11-15-8-16(12-21)10-17(9-15)13-21)19-6-7-24(23-19)14-26-18-4-2-1-3-5-18/h1-7,15-17H,8-14H2,(H,22,25)