(2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxyphenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@H](NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)O

InChI

InChI=1S/C22H18N2O4/c25-16-8-6-15(7-9-16)21-23-18-4-2-1-3-17(18)22(26)24(21)12-14-5-10-19-20(11-14)28-13-27-19/h1-11,21,23,25H,12-13H2/t21-/m0/s1