3-azanyl-5-[1-cyano-2-(4-ethoxy-3-iodanyl-phenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[1-cyano-2-(4-ethoxy-3-iodanyl-phenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole-4-carbonitrile Openeye Name: 3-amino-5-[1-cyano-2-(4-ethoxy-3-iodo-phenyl)vinyl]-2-phenyl-3,4-dihydropyrazole-4-carbonitrile CAS Name: 3-amino-5-[1-cyano-2-(4-ethoxy-3-iodophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[1-cyano-2-(4-ethoxy-3-iodophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole-4-carbonitrile Traditional Name: 5-amino-3-[1-cyano-2-(4-ethoxy-3-iodo-phenyl)vinyl]-1-phenyl-2-pyrazoline-4-carbonitrile Formula: C21H18IN5O MolecularWeight: 483.30499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C2=NN(C(C2C#N)N)C3=CC=CC=C3)I

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C2=NN(C(C2C#N)N)C3=CC=CC=C3)I

InChI

InChI=1S/C21H18IN5O/c1-2-28-19-9-8-14(11-18(19)22)10-15(12-23)20-17(13-24)21(25)27(26-20)16-6-4-3-5-7-16/h3-11,17,21H,2,25H2,1H3