2-(1,3-benzodioxol-5-yl)-3-(4-butan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(4-butan-2-ylphenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(4-sec-butylphenyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(4-butan-2-ylphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(4-butan-2-ylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(4-sec-butylphenyl)-1,2-dihydroquinazolin-4-one Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O3/c1-3-16(2)17-8-11-19(12-9-17)27-24(18-10-13-22-23(14-18)30-15-29-22)26-21-7-5-4-6-20(21)25(27)28/h4-14,16,24,26H,3,15H2,1-2H3