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

Systemtic Name: 5-azanyl-3-[(Z)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(4-benzoxy-3-bromo-5-methoxy-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C23H20BrN5O3 MolecularWeight: 494.3406

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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)CCO)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20BrN5O3/c1-31-20-11-16(10-19(24)22(20)32-14-15-5-3-2-4-6-15)9-17(12-25)21-18(13-26)23(27)29(28-21)7-8-30/h2-6,9-11,30H,7-8,14,27H2,1H3/b17-9+