3-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C28H29N3O3/c32-27(29-21-6-7-24-25(13-21)34-9-8-33-24)23-17-31(22-4-2-1-3-5-22)30-26(23)28-14-18-10-19(15-28)12-20(11-18)16-28/h1-7,13,17-20H,8-12,14-16H2,(H,29,32)