3-bromanylpropoxybenzene; 6-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]hexan-1-one

Systemtic Name: 3-bromanylpropoxybenzene; 6-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]hexan-1-one Openeye Name: 3-bromopropoxybenzene; 6-(1-piperidyl)-1-[4-[3-(1-piperidyl)propoxy]phenyl]hexan-1-one CAS Name: 3-bromopropoxybenzene; 6-(1-piperidinyl)-1-[4-[3-(1-piperidinyl)propoxy]phenyl]-1-hexanone IUPAC Name: 3-bromopropoxybenzene; 6-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]hexan-1-one Traditional Name: 3-bromopropoxybenzene; 6-piperidino-1-[4-(3-piperidinopropoxy)phenyl]hexan-1-one Formula: C34H51BrN2O3 MolecularWeight: 615.68434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCC(=O)C2=CC=C(C=C2)OCCCN3CCCCC3.C1=CC=C(C=C1)OCCCBr

Isomeric SMILES

C1CCN(CC1)CCCCCC(=O)C2=CC=C(C=C2)OCCCN3CCCCC3.C1=CC=C(C=C1)OCCCBr

InChI

InChI=1S/C25H40N2O2.C9H11BrO/c28-25(11-4-1-5-16-26-17-6-2-7-18-26)23-12-14-24(15-13-23)29-22-10-21-27-19-8-3-9-20-27;10-7-4-8-11-9-5-2-1-3-6-9/h12-15H,1-11,16-22H2;1-3,5-6H,4,7-8H2