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

Systemtic Name: 5-azanyl-3-[(Z)-2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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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)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)Br)OC

InChI

InChI=1S/C18H18BrN5O3/c1-3-27-15-8-11(7-14(19)17(15)26-2)6-12(9-20)16-13(10-21)18(22)24(23-16)4-5-25/h6-8,25H,3-5,22H2,1-2H3/b12-6+