N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H25N3O3/c26-21(17-1-2-18-19(10-17)28-6-5-27-18)23-20-3-4-25(24-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-4,10,14-16H,5-9,11-13H2,(H,23,24,26)