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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-2-(6-iodo-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C22H15ClIN5O MolecularWeight: 527.74487

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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=CC(=C4)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClIN5O/c1-12-3-6-16(7-4-12)29-20(23)17(13(2)28-29)9-14(11-25)21-26-19-8-5-15(24)10-18(19)22(30)27-21/h3-10H,1-2H3,(H,26,27,30)/b14-9+