4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzonitrile CAS Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzonitrile Traditional Name: 4-[[4-keto-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzonitrile Formula: C25H17N3O MolecularWeight: 375.42198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17N3O/c26-16-21-9-11-22(12-10-21)17-28-18-27-24-14-13-20(15-23(24)25(28)29)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-15,18H,7,17H2