2-[[5-bromanyl-2-methoxy-4-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-bromanyl-2-methoxy-4-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-2-methoxy-4-[(E)-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-2-methoxy-4-[(E)-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-2-methoxy-4-[(E)-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[5-bromo-4-[(E)-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzonitrile Formula: C28H24BrN3O3 MolecularWeight: 530.41246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3C#N)OC)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OCC3=CC=CC=C3C#N)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H24BrN3O3/c1-3-9-25-23(28(33)32(31-25)22-12-5-4-6-13-22)14-21-15-26(34-2)27(16-24(21)29)35-18-20-11-8-7-10-19(20)17-30/h4-8,10-16H,3,9,18H2,1-2H3/b23-14+