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

Systemtic Name: 2-[2-bromanyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-6-methoxy-phenoxy]acetonitrile Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)Br)OCC#N)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)Br)OCC#N)OC

InChI

InChI=1S/C21H19BrN4O3/c1-14-19(21(27)26(25(14)2)16-7-5-4-6-8-16)24-13-15-11-17(22)20(29-10-9-23)18(12-15)28-3/h4-8,11-13H,10H2,1-3H3