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

Systemtic Name: 5-azanyl-3-[(E)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(E)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(E)-1-cyano-2-(3-methoxy-4-phenethyloxyphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(E)-1-cyano-2-(3-methoxy-4-phenethyloxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(E)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C28H23N5O2 MolecularWeight: 461.51452

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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)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H23N5O2/c1-34-26-17-21(12-13-25(26)35-15-14-20-8-4-2-5-9-20)16-22(18-29)27-24(19-30)28(31)33(32-27)23-10-6-3-7-11-23/h2-13,16-17H,14-15,31H2,1H3/b22-16-