(E)-3-(4-hexoxy-3-methoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C24H25N3O3/c1-3-4-5-8-13-30-21-12-11-17(15-22(21)29-2)14-18(16-25)23-26-20-10-7-6-9-19(20)24(28)27-23/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,26,27,28)/b18-14+