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

Systemtic Name: 4-[4-(2-butyl-1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)phenyl]pyridine-3-carbonitrile Openeye Name: 4-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-3-carbonitrile CAS Name: 4-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 4-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-3-carbonitrile Traditional Name: 4-[4-(2-butyl-4-keto-1,6-dimethyl-2H-quinazolin-3-yl)phenyl]nicotinonitrile 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(C=NC=C4)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O/c1-4-5-6-25-29(3)24-12-7-18(2)15-23(24)26(31)30(25)21-10-8-19(9-11-21)22-13-14-28-17-20(22)16-27/h7-15,17,25H,4-6H2,1-3H3