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

Systemtic Name: 5-azanyl-3-[(Z)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(4-benzoxy-3-bromo-5-methoxy-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C27H20BrN5O2 MolecularWeight: 526.384

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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)Br)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H20BrN5O2/c1-34-24-14-19(13-23(28)26(24)35-17-18-8-4-2-5-9-18)12-20(15-29)25-22(16-30)27(31)33(32-25)21-10-6-3-7-11-21/h2-14H,17,31H2,1H3/b20-12+