N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H26N4O3/c1-18-9-10-19(2)23(14-18)33-25-12-11-20(16-28-25)15-27-24(31)8-5-13-30-17-29-22-7-4-3-6-21(22)26(30)32/h3-4,6-7,9-12,14,16-17H,5,8,13,15H2,1-2H3,(H,27,31)