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

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)-1,2-dihydroquinazolin-4-one Formula: C22H17FN2O4 MolecularWeight: 392.379783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C22H17FN2O4/c1-27-18-8-6-13(10-16(18)23)21-24-17-5-3-2-4-15(17)22(26)25(21)14-7-9-19-20(11-14)29-12-28-19/h2-11,21,24H,12H2,1H3/t21-/m0/s1