5-azanyl-3-[(Z)-1-cyano-2-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-propargyloxy-phenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C19H16IN5O3 MolecularWeight: 489.26651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)I)OCC#C

InChI

InChI=1S/C19H16IN5O3/c1-3-6-28-18-15(20)8-12(9-16(18)27-2)7-13(10-21)17-14(11-22)19(23)25(24-17)4-5-26/h1,7-9,26H,4-6,23H2,2H3/b13-7+