(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-isopentyloxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(3-methylbutoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(4-isoamoxyphenyl)acrylonitrile Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C22H20BrN3O2/c1-14(2)9-10-28-18-6-3-15(4-7-18)11-16(13-24)21-25-20-8-5-17(23)12-19(20)22(27)26-21/h3-8,11-12,14H,9-10H2,1-2H3,(H,25,26,27)/b16-11+