3-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C22H15Cl2N5O MolecularWeight: 436.2934

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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=C(N3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=C(C#N)C3=NC(=O)C4=C(N3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H15Cl2N5O/c1-12-3-6-16(7-4-12)29-20(24)18(13(2)28-29)9-14(11-25)21-26-19-10-15(23)5-8-17(19)22(30)27-21/h3-10H,1-2H3,(H,26,27,30)