4-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]piperidin-1-yl]-N-methyl-piperidine-1-carboxamide hydrate

Systemtic Name: 4-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]piperidin-1-yl]-N-methyl-piperidine-1-carboxamide hydrate Openeye Name: 4-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-1-piperidyl]-N-methyl-piperidine-1-carboxamide hydrate CAS Name: 4-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-1-piperidinyl]-N-methyl-1-piperidinecarboxamide hydrate IUPAC Name: 4-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]piperidin-1-yl]-N-methylpiperidine-1-carboxamide hydrate Traditional Name: 4-[4-[1H-benzimidazol-2-yl-(4-fluorobenzyl)amino]piperidino]-N-methyl-piperidine-1-carboxamide hydrate Formula: C26H35FN6O2 MolecularWeight: 482.593503

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCC(CC1)N2CCC(CC2)N(CC3=CC=C(C=C3)F)C4=NC5=CC=CC=C5N4.O

Isomeric SMILES

CNC(=O)N1CCC(CC1)N2CCC(CC2)N(CC3=CC=C(C=C3)F)C4=NC5=CC=CC=C5N4.O

InChI

InChI=1S/C26H33FN6O.H2O/c1-28-26(34)32-16-10-21(11-17-32)31-14-12-22(13-15-31)33(18-19-6-8-20(27)9-7-19)25-29-23-4-2-3-5-24(23)30-25;/h2-9,21-22H,10-18H2,1H3,(H,28,34)(H,29,30);1H2