(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2,4-dimethylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2,4-dimethylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2,4-dimethylphenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2,4-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2,4-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(2,4-dimethylphenyl)acrylonitrile Formula: C19H14BrN3O MolecularWeight: 380.23796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C19H14BrN3O/c1-11-3-4-13(12(2)7-11)8-14(10-21)18-22-17-6-5-15(20)9-16(17)19(24)23-18/h3-9H,1-2H3,(H,22,23,24)/b14-8+