(2S)-2-(7-chloranyl-1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(7-chloranyl-1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-benzyl-2-(7-chloro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-benzyl-2-(7-chloro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-benzyl-2-(7-chloro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Formula: C22H17ClN2O3 MolecularWeight: 392.83498

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)[C@H]3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)Cl

InChI

InChI=1S/C22H17ClN2O3/c23-17-10-15(11-19-20(17)28-13-27-19)21-24-18-9-5-4-8-16(18)22(26)25(21)12-14-6-2-1-3-7-14/h1-11,21,24H,12-13H2/t21-/m0/s1