2-[4-[(2-butyl-4-oxidanylidene-quinazolin-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-4-oxidanylidene-quinazolin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-4-oxo-quinazolin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-4-oxo-1-quinazolinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-4-keto-quinazolin-1-yl)methyl]phenyl]benzonitrile Formula: C26H23N3O MolecularWeight: 393.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=NC(=O)C2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H23N3O/c1-2-3-12-25-28-26(30)23-10-6-7-11-24(23)29(25)18-19-13-15-20(16-14-19)22-9-5-4-8-21(22)17-27/h4-11,13-16H,2-3,12,18H2,1H3