7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2S)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one hydrochloride

Systemtic Name: 7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2S)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one hydrochloride Openeye Name: 7-bromo-6-chloro-3-[3-[(2S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one hydrochloride CAS Name: 7-bromo-6-chloro-3-[3-[(2S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone hydrochloride IUPAC Name: 7-bromo-6-chloro-3-[3-[(2S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one hydrochloride Traditional Name: 7-bromo-6-chloro-3-[3-[(2S)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one hydrochloride Formula: C16H18BrCl2N3O3 MolecularWeight: 451.14242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Cl

Isomeric SMILES

C1CC([C@@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Cl

InChI

InChI=1S/C16H17BrClN3O3.ClH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H/t14-,15?;/m0./s1