N-(1,5-dimethyl-3-methylidene-2-phenyl-pyrazol-4-yl)-2-(3-heptoxyphenoxy)ethanamide

Systemtic Name: N-(1,5-dimethyl-3-methylidene-2-phenyl-pyrazol-4-yl)-2-(3-heptoxyphenoxy)ethanamide Openeye Name: N-(1,5-dimethyl-3-methylene-2-phenyl-pyrazol-4-yl)-2-(3-heptoxyphenoxy)acetamide CAS Name: N-(1,5-dimethyl-3-methylene-2-phenyl-4-pyrazolyl)-2-(3-heptoxyphenoxy)acetamide IUPAC Name: N-(1,5-dimethyl-3-methylidene-2-phenylpyrazol-4-yl)-2-(3-heptoxyphenoxy)acetamide Traditional Name: N-(1,5-dimethyl-3-methylene-2-phenyl-3-pyrazolin-4-yl)-2-(3-heptoxyphenoxy)acetamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)OCC(=O)NC2=C(N(N(C2=C)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)OCC(=O)NC2=C(N(N(C2=C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C27H35N3O3/c1-5-6-7-8-12-18-32-24-16-13-17-25(19-24)33-20-26(31)28-27-21(2)29(4)30(22(27)3)23-14-10-9-11-15-23/h9-11,13-17,19H,3,5-8,12,18,20H2,1-2,4H3,(H,28,31)