ethyl (E)-3-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c1-3-32-23(30)9-17(2)27-25(31)22-16-29(21-7-5-4-6-8-21)28-24(22)26-13-18-10-19(14-26)12-20(11-18)15-26/h4-9,16,18-20H,3,10-15H2,1-2H3,(H,27,31)/b17-9+