3-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C29H31F2N3O3 MolecularWeight: 507.571546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OC(F)F

InChI

InChI=1S/C29H31F2N3O3/c1-2-36-25-13-21(8-9-24(25)37-28(30)31)32-27(35)23-17-34(22-6-4-3-5-7-22)33-26(23)29-14-18-10-19(15-29)12-20(11-18)16-29/h3-9,13,17-20,28H,2,10-12,14-16H2,1H3,(H,32,35)