methyl 3-[4-(6-bromanylquinazolin-4-yl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[4-(6-bromanylquinazolin-4-yl)piperazin-1-yl]benzoate Openeye Name: methyl 3-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]benzoate CAS Name: 3-[4-(6-bromo-4-quinazolinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]benzoate Traditional Name: 3-[4-(6-bromoquinazolin-4-yl)piperazino]benzoic acid methyl ester Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C20H19BrN4O2/c1-27-20(26)14-3-2-4-16(11-14)24-7-9-25(10-8-24)19-17-12-15(21)5-6-18(17)22-13-23-19/h2-6,11-13H,7-10H2,1H3