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

Systemtic Name: 5-azanyl-3-[(Z)-2-(5-bromanyl-2-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(2-benzyloxy-5-bromo-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(2-benzoxy-5-bromo-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C22H18BrN5O2 MolecularWeight: 464.31462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)C3=NN(C(=C3C#N)N)CCO

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C(\C#N)/C3=NN(C(=C3C#N)N)CCO

InChI

InChI=1S/C22H18BrN5O2/c23-18-6-7-20(30-14-15-4-2-1-3-5-15)16(11-18)10-17(12-24)21-19(13-25)22(26)28(27-21)8-9-29/h1-7,10-11,29H,8-9,14,26H2/b17-10+