4-azanyl-N-[1-[3-(4-fluoranylphenoxy)propyl]-4-methyl-piperidin-4-yl]-2-methoxy-benzamide dihydrate

Systemtic Name: 4-azanyl-N-[1-[3-(4-fluoranylphenoxy)propyl]-4-methyl-piperidin-4-yl]-2-methoxy-benzamide dihydrate Openeye Name: 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methyl-4-piperidyl]-2-methoxy-benzamide dihydrate CAS Name: 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methyl-4-piperidinyl]-2-methoxybenzamide dihydrate IUPAC Name: 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide dihydrate Traditional Name: 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methyl-4-piperidyl]-2-methoxy-benzamide dihydrate Formula: C23H34FN3O5 MolecularWeight: 451.531563

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)CCCOC2=CC=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)N)OC.O.O

Isomeric SMILES

CC1(CCN(CC1)CCCOC2=CC=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)N)OC.O.O

InChI

InChI=1S/C23H30FN3O3.2H2O/c1-23(26-22(28)20-9-6-18(25)16-21(20)29-2)10-13-27(14-11-23)12-3-15-30-19-7-4-17(24)5-8-19;;/h4-9,16H,3,10-15,25H2,1-2H3,(H,26,28);2*1H2