N-[1-(2-azanyl-3-methyl-butyl)piperidin-4-yl]-1-[(6-bromanylpyridin-2-yl)-ethoxy-methyl]-4-methyl-benzimidazol-2-amine hydrate

Systemtic Name: N-[1-(2-azanyl-3-methyl-butyl)piperidin-4-yl]-1-[(6-bromanylpyridin-2-yl)-ethoxy-methyl]-4-methyl-benzimidazol-2-amine hydrate Openeye Name: N-[1-(2-amino-3-methyl-butyl)-4-piperidyl]-1-[(6-bromo-2-pyridyl)-ethoxy-methyl]-4-methyl-benzimidazol-2-amine hydrate CAS Name: N-[1-(2-amino-3-methylbutyl)-4-piperidinyl]-1-[(6-bromo-2-pyridinyl)-ethoxymethyl]-4-methyl-2-benzimidazolamine hydrate IUPAC Name: N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[(6-bromopyridin-2-yl)-ethoxymethyl]-4-methylbenzimidazol-2-amine hydrate Traditional Name: [1-(2-amino-3-methyl-butyl)-4-piperidyl]-[1-[(6-bromo-2-pyridyl)-ethoxy-methyl]-4-methyl-benzimidazol-2-yl]amine hydrate Formula: C26H39BrN6O2 MolecularWeight: 547.53086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC(=CC=C1)Br)N2C3=CC=CC(=C3N=C2NC4CCN(CC4)CC(C(C)C)N)C.O

Isomeric SMILES

CCOC(C1=NC(=CC=C1)Br)N2C3=CC=CC(=C3N=C2NC4CCN(CC4)CC(C(C)C)N)C.O

InChI

InChI=1S/C26H37BrN6O.H2O/c1-5-34-25(21-9-7-11-23(27)30-21)33-22-10-6-8-18(4)24(22)31-26(33)29-19-12-14-32(15-13-19)16-20(28)17(2)3;/h6-11,17,19-20,25H,5,12-16,28H2,1-4H3,(H,29,31);1H2