(2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoranyl-4-methoxy-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoranyl-4-methoxy-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoro-4-methoxy-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoro-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoro-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(3-fluoro-4-methoxy-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C23H19FN2O4 MolecularWeight: 406.406363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C23H19FN2O4/c1-28-19-9-7-15(11-17(19)24)22-25-18-5-3-2-4-16(18)23(27)26(22)12-14-6-8-20-21(10-14)30-13-29-20/h2-11,22,25H,12-13H2,1H3/t22-/m0/s1