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

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(6-chloro-4-keto-1H-quinazolin-2-yl)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylonitrile Formula: C21H13Cl2N5O MolecularWeight: 422.26682

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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)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N5O/c1-12-16(19(23)28(27-12)15-5-3-2-4-6-15)9-13(11-24)20-25-18-8-7-14(22)10-17(18)21(29)26-20/h2-10H,1H3,(H,25,26,29)/b13-9+