(3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H24BrN3O5 MolecularWeight: 478.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24BrN3O5/c1-3-12-30-20-18(22)13-15(14-19(20)29-2)21(26)24-10-8-23(9-11-24)16-4-6-17(7-5-16)25(27)28/h4-7,13-14H,3,8-12H2,1-2H3