2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C20H18N2O4/c23-11-3-10-22-19(21-16-5-2-1-4-15(16)20(22)24)9-7-14-6-8-17-18(12-14)26-13-25-17/h1-2,4-9,12,23H,3,10-11,13H2/b9-7+