(E)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(3-benzyloxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3-benzoxyphenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-20-26(27(32)30(29(20)2)23-13-7-4-8-14-23)28-25(31)17-16-21-12-9-15-24(18-21)33-19-22-10-5-3-6-11-22/h3-18H,19H2,1-2H3,(H,28,31)/b17-16+