4-[4-[(2-butyl-6-methyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl)methyl]phenyl]pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)C4=C(C=NC=C4)C#N

Isomeric SMILES

CCCCC1NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)C4=C(C=NC=C4)C#N

InChI

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