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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-[4-[(3-iodanylphenyl)methoxy]-3-methoxy-phenyl]ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[4-[(3-iodophenyl)methoxy]-3-methoxy-phenyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-[4-(3-iodobenzyl)oxy-3-methoxy-phenyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C27H20IN5O2 MolecularWeight: 573.38447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OCC4=CC(=CC=C4)I

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OCC4=CC(=CC=C4)I

InChI

InChI=1S/C27H20IN5O2/c1-34-25-14-18(10-11-24(25)35-17-19-6-5-7-21(28)13-19)12-20(15-29)26-23(16-30)27(31)33(32-26)22-8-3-2-4-9-22/h2-14H,17,31H2,1H3/b20-12+