N-[[5-(3,5-dimethylpyrazol-1-yl)-2-methoxy-phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride

Systemtic Name: N-[[5-(3,5-dimethylpyrazol-1-yl)-2-methoxy-phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride Openeye Name: N-[[5-(3,5-dimethylpyrazol-1-yl)-2-methoxy-phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride CAS Name: N-[[5-(3,5-dimethyl-1-pyrazolyl)-2-methoxyphenyl]methyl]-2-phenyl-3-piperidinamine hydrate dihydrochloride IUPAC Name: N-[[5-(3,5-dimethylpyrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine hydrate dihydrochloride Traditional Name: [5-(3,5-dimethylpyrazol-1-yl)-2-methoxy-benzyl]-(2-phenyl-3-piperidyl)amine hydrate dihydrochloride Formula: C24H34Cl2N4O2 MolecularWeight: 481.45836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=C(C=C2)OC)CNC3CCCNC3C4=CC=CC=C4)C.O.Cl.Cl

Isomeric SMILES

CC1=CC(=NN1C2=CC(=C(C=C2)OC)CNC3CCCNC3C4=CC=CC=C4)C.O.Cl.Cl

InChI

InChI=1S/C24H30N4O.2ClH.H2O/c1-17-14-18(2)28(27-17)21-11-12-23(29-3)20(15-21)16-26-22-10-7-13-25-24(22)19-8-5-4-6-9-19;;;/h4-6,8-9,11-12,14-15,22,24-26H,7,10,13,16H2,1-3H3;2*1H;1H2