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

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(4-keto-6-methyl-1H-quinazolin-2-yl)acrylonitrile Formula: C22H16ClN5O MolecularWeight: 401.84834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)/C(=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl)/C#N

InChI

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