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

Systemtic Name: 5-azanyl-3-[(Z)-2-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3-methoxy-4-piperonyloxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C28H21N5O4 MolecularWeight: 491.49744

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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)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H21N5O4/c1-34-25-12-18(7-9-23(25)35-16-19-8-10-24-26(13-19)37-17-36-24)11-20(14-29)27-22(15-30)28(31)33(32-27)21-5-3-2-4-6-21/h2-13H,16-17,31H2,1H3/b20-11+