azepan-1-yl-[1-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-(3-bromophenoxy)-2-hydroxy-propyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[3-(3-bromophenoxy)-2-hydroxypropyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[3-(3-bromophenoxy)-2-hydroxypropyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-(3-bromophenoxy)-2-hydroxy-propyl]-4-piperidyl]methanone Formula: C21H31BrN2O3 MolecularWeight: 439.38644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(COC3=CC(=CC=C3)Br)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(COC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C21H31BrN2O3/c22-18-6-5-7-20(14-18)27-16-19(25)15-23-12-8-17(9-13-23)21(26)24-10-3-1-2-4-11-24/h5-7,14,17,19,25H,1-4,8-13,15-16H2