4-methoxyaniline; 2-(3-oxidanylidenehexan-2-yl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 4-methoxyaniline; 2-(3-oxidanylidenehexan-2-yl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(1-methyl-2-oxo-pentyl)quinazolin-4-one; 4-methoxyaniline CAS Name: 4-methoxyaniline; 2-(3-oxohexan-2-yl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(3-oxohexan-2-yl)quinazolin-4-one; 4-methoxyaniline Traditional Name: 3-benzyl-2-(2-keto-1-methyl-pentyl)quinazolin-4-one; p-anisidine Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2.C7H9NO/c1-3-9-19(24)15(2)20-22-18-13-8-7-12-17(18)21(25)23(20)14-16-10-5-4-6-11-16;1-9-7-4-2-6(8)3-5-7/h4-8,10-13,15H,3,9,14H2,1-2H3;2-5H,8H2,1H3