2-[4-[(2-butyl-6-ethenyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-6-ethenyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-4-oxo-6-vinyl-quinazolin-3-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-ethenyl-4-oxo-3-quinazolinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-ethenyl-4-oxoquinazolin-3-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-4-keto-6-vinyl-quinazolin-3-yl)methyl]phenyl]benzonitrile Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C=C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C=C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H25N3O/c1-3-5-10-27-30-26-16-13-20(4-2)17-25(26)28(32)31(27)19-21-11-14-22(15-12-21)24-9-7-6-8-23(24)18-29/h4,6-9,11-17H,2-3,5,10,19H2,1H3