2-[4-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-2-bromanyl-6-ethoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-2-bromanyl-6-ethoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-2-bromo-6-ethoxy-phenoxy]acetonitrile CAS Name: 2-[4-[bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile Traditional Name: 2-[4-[bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-2-bromo-6-ethoxy-phenoxy]acetonitrile Formula: C33H32BrN5O4 MolecularWeight: 642.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)Br)OCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)Br)OCC#N

InChI

InChI=1S/C33H32BrN5O4/c1-6-42-27-20-23(19-26(34)31(27)43-18-17-35)30(28-21(2)36(4)38(32(28)40)24-13-9-7-10-14-24)29-22(3)37(5)39(33(29)41)25-15-11-8-12-16-25/h7-16,19-20,30H,6,18H2,1-5H3