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

Systemtic Name: methyl 3-[4-(6-bromanylquinazolin-4-yl)piperidin-1-yl]benzoate Openeye Name: methyl 3-[4-(6-bromoquinazolin-4-yl)-1-piperidyl]benzoate CAS Name: 3-[4-(6-bromo-4-quinazolinyl)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(6-bromoquinazolin-4-yl)piperidin-1-yl]benzoate Traditional Name: 3-[4-(6-bromoquinazolin-4-yl)piperidino]benzoic acid methyl ester Formula: C21H20BrN3O2 MolecularWeight: 426.3064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2CCC(CC2)C3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2CCC(CC2)C3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O2/c1-27-21(26)15-3-2-4-17(11-15)25-9-7-14(8-10-25)20-18-12-16(22)5-6-19(18)23-13-24-20/h2-6,11-14H,7-10H2,1H3