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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)O

Isomeric SMILES

CCCCCC(C)(C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)O

InChI

InChI=1S/C29H29N3O2/c1-3-4-7-16-29(2,34)24-14-15-27-26(17-24)28(33)32(20-31-27)19-21-10-12-22(13-11-21)25-9-6-5-8-23(25)18-30/h5-6,8-15,17,20,34H,3-4,7,16,19H2,1-2H3