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

Systemtic Name: 2-[4-[bis(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)methyl]-2,6-bis(bromanyl)phenoxy]ethanenitrile Openeye Name: 2-[4-[bis(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2,6-dibromo-phenoxy]acetonitrile CAS Name: 2-[4-[bis(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2,6-dibromophenoxy]acetonitrile IUPAC Name: 2-[4-[bis(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2,6-dibromophenoxy]acetonitrile Traditional Name: 2-[4-[bis(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)methyl]-2,6-dibromo-phenoxy]acetonitrile Formula: C29H23Br2N5O3 MolecularWeight: 649.33262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OCC#N)Br)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C(=C(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OCC#N)Br)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C29H23Br2N5O3/c1-35-28(37)23(25(33-35)17-9-5-3-6-10-17)22(19-15-20(30)27(21(31)16-19)39-14-13-32)24-26(34-36(2)29(24)38)18-11-7-4-8-12-18/h3-12,15-16,22,33-34H,14H2,1-2H3