(E)-3-(4-hexoxyphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-hexoxyphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-hexoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-hexoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-hexoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-hexoxyphenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2/c1-2-3-4-7-14-28-19-12-10-17(11-13-19)15-18(16-24)22-25-21-9-6-5-8-20(21)23(27)26-22/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,25,26,27)/b18-15+