[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-bromanyl-3,5-dimethoxy-phenyl)methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-bromanyl-3,5-dimethoxy-phenyl)methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-(4-bromo-3,5-dimethoxy-phenyl)methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-(4-bromo-3,5-dimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-bromo-3,5-dimethoxyphenyl)methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-(4-bromo-3,5-dimethoxy-phenyl)methanone Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21BrN2O4/c1-26-17-11-14(12-18(27-2)19(17)22)21(25)24-9-7-13(8-10-24)20-23-15-5-3-4-6-16(15)28-20/h3-6,11-13H,7-10H2,1-2H3