5-azanyl-3-[(Z)-1-cyano-2-(3,4-diethoxy-5-iodanyl-phenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3,4-diethoxy-5-iodanyl-phenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-(3,4-diethoxy-5-iodo-phenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3,4-diethoxy-5-iodophenyl)ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3,4-diethoxy-5-iodophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3,4-diethoxy-5-iodo-phenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C19H20IN5O3 MolecularWeight: 493.29827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)I)OCC

InChI

InChI=1S/C19H20IN5O3/c1-3-27-16-9-12(8-15(20)18(16)28-4-2)7-13(10-21)17-14(11-22)19(23)25(24-17)5-6-26/h7-9,26H,3-6,23H2,1-2H3/b13-7+