2-[4-(6-bromanylquinazolin-4-yl)piperidin-1-yl]benzoic acid

Systemtic Name: 2-[4-(6-bromanylquinazolin-4-yl)piperidin-1-yl]benzoic acid Openeye Name: 2-[4-(6-bromoquinazolin-4-yl)-1-piperidyl]benzoic acid CAS Name: 2-[4-(6-bromo-4-quinazolinyl)-1-piperidinyl]benzoic acid IUPAC Name: 2-[4-(6-bromoquinazolin-4-yl)piperidin-1-yl]benzoic acid Traditional Name: 2-[4-(6-bromoquinazolin-4-yl)piperidino]benzoic acid Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H18BrN3O2/c21-14-5-6-17-16(11-14)19(23-12-22-17)13-7-9-24(10-8-13)18-4-2-1-3-15(18)20(25)26/h1-6,11-13H,7-10H2,(H,25,26)