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

Systemtic Name: 2-[4-[[2-butyl-4-oxidanylidene-6-(2-oxidanylpropan-2-yl)quinazolin-3-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-6-(1-hydroxy-1-methyl-ethyl)-4-oxo-quinazolin-3-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-6-(2-hydroxypropan-2-yl)-4-oxo-3-quinazolinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-6-(2-hydroxypropan-2-yl)-4-oxoquinazolin-3-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-butyl-6-(1-hydroxy-1-methyl-ethyl)-4-keto-quinazolin-3-yl]methyl]phenyl]benzonitrile Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H29N3O2/c1-4-5-10-27-31-26-16-15-23(29(2,3)34)17-25(26)28(33)32(27)19-20-11-13-21(14-12-20)24-9-7-6-8-22(24)18-30/h6-9,11-17,34H,4-5,10,19H2,1-3H3