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

Systemtic Name: 2-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H20N4O3 MolecularWeight: 376.4085

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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)OCC#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-15-20(21(26)25(24(15)2)17-7-5-4-6-8-17)23-14-16-9-10-18(28-12-11-22)19(13-16)27-3/h4-10,13-14H,12H2,1-3H3