4-methoxyaniline; 2-(2-methyl-5-oxidanylidene-octan-4-yl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 4-methoxyaniline; 2-(2-methyl-5-oxidanylidene-octan-4-yl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(1-isobutyl-2-oxo-pentyl)quinazolin-4-one; 4-methoxyaniline CAS Name: 4-methoxyaniline; 2-(2-methyl-5-oxooctan-4-yl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(2-methyl-5-oxooctan-4-yl)quinazolin-4-one; 4-methoxyaniline Traditional Name: 3-benzyl-2-(1-isobutyl-2-keto-pentyl)quinazolin-4-one; p-anisidine Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2.C7H9NO/c1-4-10-22(27)20(15-17(2)3)23-25-21-14-9-8-13-19(21)24(28)26(23)16-18-11-6-5-7-12-18;1-9-7-4-2-6(8)3-5-7/h5-9,11-14,17,20H,4,10,15-16H2,1-3H3;2-5H,8H2,1H3