4-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzonitrile CAS Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzonitrile IUPAC Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzonitrile Traditional Name: 4-[[2-keto-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzonitrile Formula: C26H21N3O MolecularWeight: 391.46444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C#N)C=C(C=C2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C#N)C=C(C=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O/c1-28-25-15-14-21(9-5-8-20-6-3-2-4-7-20)16-24(25)19-29(26(28)30)18-23-12-10-22(17-27)11-13-23/h2-4,6-7,10-16H,8,18-19H2,1H3