5-azanyl-3-[(Z)-1-cyano-2-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3-ethoxy-5-iodo-4-methoxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H18IN5O2 MolecularWeight: 511.31509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)I)OC

InChI

InChI=1S/C22H18IN5O2/c1-3-30-19-11-14(10-18(23)21(19)29-2)9-15(12-24)20-17(13-25)22(26)28(27-20)16-7-5-4-6-8-16/h4-11H,3,26H2,1-2H3/b15-9+