(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-iodo-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H13ClIN5O MolecularWeight: 513.71829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)I)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)I)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H13ClIN5O/c1-12-16(19(22)28(27-12)15-5-3-2-4-6-15)9-13(11-24)20-25-18-8-7-14(23)10-17(18)21(29)26-20/h2-10H,1H3,(H,25,26,29)/b13-9+