3-[(4Z)-4-[(2-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4Z)-4-[(2-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-4-[(4-benzyloxy-2-chloro-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-4-(4-benzoxy-2-chloro-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Cl)OCC3=CC=CC=C3)OC)CCC#N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2Cl)OCC3=CC=CC=C3)OC)CCC#N

InChI

InChI=1S/C22H20ClN3O3/c1-15-18(22(27)26(25-15)10-6-9-24)11-17-12-20(28-2)21(13-19(17)23)29-14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,10,14H2,1-2H3/b18-11-