(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(4-isopropylphenyl)prop-2-enenitrile CAS Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-p-cumenyl-acrylonitrile Formula: C20H16ClN3O MolecularWeight: 349.81354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O/c1-12(2)14-5-3-13(4-6-14)9-15(11-22)19-23-18-10-16(21)7-8-17(18)20(25)24-19/h3-10,12H,1-2H3,(H,23,24,25)/b15-9+