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

Systemtic Name: (Z)-3-[4-(3-methylbutoxy)phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-(4-isopentyloxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[4-(3-methylbutoxy)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-[4-(3-methylbutoxy)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-(4-isoamoxyphenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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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=CC=CC=C3N2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(/C#N)\C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H21N3O2/c1-15(2)11-12-27-18-9-7-16(8-10-18)13-17(14-23)21-24-20-6-4-3-5-19(20)22(26)25-21/h3-10,13,15H,11-12H2,1-2H3,(H,24,25,26)/b17-13-