1,7,7-trimethyl-2-oxidanylidene-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide

Systemtic Name: 1,7,7-trimethyl-2-oxidanylidene-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide CAS Name: 1,7,7-trimethyl-2-oxo-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide IUPAC Name: 1,7,7-trimethyl-2-oxo-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)NC3=CN(N=C3)CCOCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)NC3=CN(N=C3)CCOCC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H27N3O4/c1-20(2)21(3)9-10-22(20,29-19(21)27)18(26)24-17-13-23-25(14-17)11-12-28-15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,26)