(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2-chloranyl-8-methyl-quinolin-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2-chloranyl-8-methyl-quinolin-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-chloro-8-methyl-3-quinolyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-chloro-8-methyl-3-quinolinyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-chloro-8-methylquinolin-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(2-chloro-8-methyl-3-quinolyl)acrylonitrile Formula: C21H12BrClN4O MolecularWeight: 451.70318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C21H12BrClN4O/c1-11-3-2-4-12-7-13(19(23)26-18(11)12)8-14(10-24)20-25-17-6-5-15(22)9-16(17)21(28)27-20/h2-9H,1H3,(H,25,27,28)/b14-8+