(2S)-2-[3-chloranyl-4,5-bis(oxidanyl)phenyl]-3-phenethyl-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-[3-chloranyl-4,5-bis(oxidanyl)phenyl]-3-phenethyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(3-chloro-4,5-dihydroxy-phenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(3-chloro-4,5-dihydroxyphenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(3-chloro-4,5-dihydroxyphenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(3-chloro-4,5-dihydroxy-phenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Cl)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Cl)O)O

InChI

InChI=1S/C22H19ClN2O3/c23-17-12-15(13-19(26)20(17)27)21-24-18-9-5-4-8-16(18)22(28)25(21)11-10-14-6-2-1-3-7-14/h1-9,12-13,21,24,26-27H,10-11H2/t21-/m0/s1