1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromanylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromanylphenoxy)ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(4-bromophenoxy)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)ethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-bromophenoxy)ethanone Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN5O2/c22-15-5-7-16(8-6-15)29-14-20(28)27-11-9-26(10-12-27)13-19-24-18-4-2-1-3-17(18)21(23)25-19/h1-8H,9-14H2,(H2,23,24,25)