(E)-N-(1-adamantyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1-adamantyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-adamantyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(1-adamantyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1-adamantyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(1-adamantyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OC

InChI

InChI=1S/C30H33N3O3/c1-35-26-10-8-23(15-27(26)36-2)29-24(19-33(32-29)25-6-4-3-5-7-25)9-11-28(34)31-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-11,15,19-22H,12-14,16-18H2,1-2H3,(H,31,34)/b11-9+