2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-benzo[e]benzimidazole hydrate

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-benzo[e]benzimidazole hydrate Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-benzo[e]benzimidazole hydrate CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1-methylbenzo[e]benzimidazole hydrate IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole hydrate Traditional Name: 2-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-1-methyl-benzo[e]benzimidazole hydrate Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=CC=C5OC.O

Isomeric SMILES

CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=CC=C5OC.O

InChI

InChI=1S/C25H28N4O.H2O/c1-27-24(26-21-12-11-19-7-3-4-8-20(19)25(21)27)13-14-28-15-17-29(18-16-28)22-9-5-6-10-23(22)30-2;/h3-12H,13-18H2,1-2H3;1H2