1-chloranyl-3-[1-[3-(6-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]benzimidazol-2-one hydrate

Systemtic Name: 1-chloranyl-3-[1-[3-(6-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]benzimidazol-2-one hydrate Openeye Name: 1-chloro-3-[1-[3-(6-chloro-2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]benzimidazol-2-one hydrate CAS Name: 1-chloro-3-[1-[3-(6-chloro-2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-2-benzimidazolone hydrate IUPAC Name: 1-chloro-3-[1-[3-(6-chloro-2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]benzimidazol-2-one hydrate Traditional Name: 1-chloro-3-[1-[3-(6-chloro-2-keto-3H-benzimidazol-1-yl)propyl]-4-piperidyl]benzimidazol-2-one hydrate Formula: C22H25Cl2N5O3 MolecularWeight: 478.3716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)Cl)CCCN4C5=C(C=CC(=C5)Cl)NC4=O.O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)Cl)CCCN4C5=C(C=CC(=C5)Cl)NC4=O.O

InChI

InChI=1S/C22H23Cl2N5O2.H2O/c23-15-6-7-17-20(14-15)27(21(30)25-17)11-3-10-26-12-8-16(9-13-26)28-18-4-1-2-5-19(18)29(24)22(28)31;/h1-2,4-7,14,16H,3,8-13H2,(H,25,30);1H2