(2S)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromanylphenoxy)propan-1-one

Systemtic Name: (2S)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromanylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one CAS Name: (2S)-1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-bromophenoxy)propan-1-one Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=N2)N)OC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=N2)N)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN5O2/c1-15(30-17-8-6-16(23)7-9-17)22(29)28-12-10-27(11-13-28)14-20-25-19-5-3-2-4-18(19)21(24)26-20/h2-9,15H,10-14H2,1H3,(H2,24,25,26)/t15-/m0/s1