6-bromanyl-3-[3-oxidanylidene-3-[(2S)-2-phenylpyrrolidin-1-yl]propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[3-oxidanylidene-3-[(2S)-2-phenylpyrrolidin-1-yl]propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[3-oxo-3-[(2S)-2-phenylpyrrolidin-1-yl]propyl]quinazolin-4-one CAS Name: 6-bromo-3-[3-oxo-3-[(2S)-2-phenyl-1-pyrrolidinyl]propyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[3-oxo-3-[(2S)-2-phenylpyrrolidin-1-yl]propyl]quinazolin-4-one Traditional Name: 6-bromo-3-[3-keto-3-[(2S)-2-phenylpyrrolidino]propyl]quinazolin-4-one Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3O2/c22-16-8-9-18-17(13-16)21(27)24(14-23-18)12-10-20(26)25-11-4-7-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,19H,4,7,10-12H2/t19-/m0/s1