3-[(4-chlorophenyl)methyl]-2-(3-oxidanylidenehexan-2-yl)quinazolin-4-one; 4-methoxyaniline

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-(3-oxidanylidenehexan-2-yl)quinazolin-4-one; 4-methoxyaniline Openeye Name: 3-[(4-chlorophenyl)methyl]-2-(1-methyl-2-oxo-pentyl)quinazolin-4-one; 4-methoxyaniline CAS Name: 3-[(4-chlorophenyl)methyl]-2-(3-oxohexan-2-yl)-4-quinazolinone; 4-methoxyaniline IUPAC Name: 3-[(4-chlorophenyl)methyl]-2-(3-oxohexan-2-yl)quinazolin-4-one; 4-methoxyaniline Traditional Name: 3-(4-chlorobenzyl)-2-(2-keto-1-methyl-pentyl)quinazolin-4-one; p-anisidine Formula: C28H30ClN3O3 MolecularWeight: 492.0091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C)C1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl.COC1=CC=C(C=C1)N

Isomeric SMILES

CCCC(=O)C(C)C1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl.COC1=CC=C(C=C1)N

InChI

InChI=1S/C21H21ClN2O2.C7H9NO/c1-3-6-19(25)14(2)20-23-18-8-5-4-7-17(18)21(26)24(20)13-15-9-11-16(22)12-10-15;1-9-7-4-2-6(8)3-5-7/h4-5,7-12,14H,3,6,13H2,1-2H3;2-5H,8H2,1H3