2-[3-[(4-bromophenyl)methyl-piperidin-4-yl-amino]-2-oxidanyl-propoxy]-N-methyl-benzamide

Systemtic Name: 2-[3-[(4-bromophenyl)methyl-piperidin-4-yl-amino]-2-oxidanyl-propoxy]-N-methyl-benzamide Openeye Name: 2-[3-[(4-bromophenyl)methyl-(4-piperidyl)amino]-2-hydroxy-propoxy]-N-methyl-benzamide CAS Name: 2-[3-[(4-bromophenyl)methyl-(4-piperidinyl)amino]-2-hydroxypropoxy]-N-methylbenzamide IUPAC Name: 2-[3-[(4-bromophenyl)methyl-piperidin-4-ylamino]-2-hydroxypropoxy]-N-methylbenzamide Traditional Name: 2-[3-[(4-bromobenzyl)-(4-piperidyl)amino]-2-hydroxy-propoxy]-N-methyl-benzamide Formula: C23H30BrN3O3 MolecularWeight: 476.4066

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1OCC(CN(CC2=CC=C(C=C2)Br)C3CCNCC3)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1OCC(CN(CC2=CC=C(C=C2)Br)C3CCNCC3)O

InChI

InChI=1S/C23H30BrN3O3/c1-25-23(29)21-4-2-3-5-22(21)30-16-20(28)15-27(19-10-12-26-13-11-19)14-17-6-8-18(24)9-7-17/h2-9,19-20,26,28H,10-16H2,1H3,(H,25,29)