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

Systemtic Name: 2-[[4-bromanyl-2-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-bromo-2-[(E)-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-bromo-2-[(E)-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-bromo-2-[(E)-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-bromo-2-[(E)-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Formula: C27H22BrN3O2 MolecularWeight: 500.38648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrN3O2/c1-2-8-25-24(27(32)31(30-25)23-11-4-3-5-12-23)16-21-15-22(28)13-14-26(21)33-18-20-10-7-6-9-19(20)17-29/h3-7,9-16H,2,8,18H2,1H3/b24-16+