N-(4-bromanyl-2-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carboxamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22BrN3O4/c1-14-12-15(22)6-7-16(14)23-21(27)25-10-8-24(9-11-25)20(26)19-13-28-17-4-2-3-5-18(17)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)