(E)-3-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C22H16ClN5O MolecularWeight: 401.84834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C22H16ClN5O/c1-13-7-9-16(10-8-13)28-20(23)18(14(2)27-28)11-15(12-24)21-25-19-6-4-3-5-17(19)22(29)26-21/h3-11H,1-2H3,(H,25,26,29)/b15-11+