(Z)-2-azanyl-3-[[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylideneamino]but-2-enedinitrile

Systemtic Name: (Z)-2-azanyl-3-[[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylideneamino]but-2-enedinitrile Openeye Name: (Z)-2-amino-3-[[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methyleneamino]but-2-enedinitrile CAS Name: (Z)-2-amino-3-[[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-butenedinitrile IUPAC Name: (Z)-2-amino-3-[[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methylideneamino]but-2-enedinitrile Traditional Name: (Z)-2-amino-3-[[4-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methoxy]-3-methoxy-benzylidene]amino]but-2-enedinitrile Formula: C23H19BrN6O3 MolecularWeight: 507.33936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=NC(=C(C#N)N)C#N)OC

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=N/C(=C(/C#N)\N)/C#N)OC

InChI

InChI=1S/C23H19BrN6O3/c1-29-19(22(24)23(31)30(29)16-6-4-3-5-7-16)14-33-20-9-8-15(10-21(20)32-2)13-28-18(12-26)17(27)11-25/h3-10,13H,14,27H2,1-2H3/b18-17-,28-13?