3-[4-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]pyridine-2-carbonitrile

Systemtic Name: 3-[4-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]pyridine-2-carbonitrile Openeye Name: 3-[4-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]phenyl]pyridine-2-carbonitrile CAS Name: 3-[4-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]phenyl]-2-pyridinecarbonitrile IUPAC Name: 3-[4-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]phenyl]pyridine-2-carbonitrile Traditional Name: 3-[4-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]phenyl]picolinonitrile Formula: C26H24N4O MolecularWeight: 408.49496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O/c1-3-4-7-25-29-23-13-8-18(2)15-22(23)26(31)30(25)17-19-9-11-20(12-10-19)21-6-5-14-28-24(21)16-27/h5-6,8-15H,3-4,7,17H2,1-2H3