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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-phenethyl-quinazolin-4-one Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3/c28-25-20-8-4-5-9-21(20)26-24(27(25)15-14-18-6-2-1-3-7-18)13-11-19-10-12-22-23(16-19)30-17-29-22/h1-13,16H,14-15,17H2/b13-11+