2-[2-ethoxy-6-iodanyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-ethoxy-6-iodanyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-ethoxy-6-iodo-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetamide CAS Name: 2-[2-ethoxy-6-iodo-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-ethoxy-6-iodo-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetamide Traditional Name: N-benzyl-2-[2-ethoxy-6-iodo-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetamide Formula: C28H26IN3O4 MolecularWeight: 595.42821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)I)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)I)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H26IN3O4/c1-3-35-25-16-21(14-23-19(2)31-32(28(23)34)22-12-8-5-9-13-22)15-24(29)27(25)36-18-26(33)30-17-20-10-6-4-7-11-20/h4-16H,3,17-18H2,1-2H3,(H,30,33)/b23-14+