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

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-benzyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H25N3O3/c1-32-24-15-13-21(17-25(24)33-2)27-22(19-30(29-27)23-11-7-4-8-12-23)14-16-26(31)28-18-20-9-5-3-6-10-20/h3-17,19H,18H2,1-2H3,(H,28,31)