3-[4-(2-butyl-1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile

Systemtic Name: 3-[4-(2-butyl-1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile Openeye Name: 3-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile CAS Name: 3-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]-2-pyridinecarbonitrile IUPAC Name: 3-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile Traditional Name: 3-[4-(2-butyl-4-keto-1,6-dimethyl-2H-quinazolin-3-yl)phenyl]picolinonitrile Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=C(C=C(C=C2)C)C(=O)N1C3=CC=C(C=C3)C4=C(N=CC=C4)C#N)C

Isomeric SMILES

CCCCC1N(C2=C(C=C(C=C2)C)C(=O)N1C3=CC=C(C=C3)C4=C(N=CC=C4)C#N)C

InChI

InChI=1S/C26H26N4O/c1-4-5-8-25-29(3)24-14-9-18(2)16-22(24)26(31)30(25)20-12-10-19(11-13-20)21-7-6-15-28-23(21)17-27/h6-7,9-16,25H,4-5,8H2,1-3H3