azepan-1-yl-[1-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3-bromo-2,5-dimethoxy-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-bromo-2,5-dimethoxybenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3-bromo-2,5-dimethoxy-benzoyl)-4-piperidyl]methanone Formula: C21H29BrN2O4 MolecularWeight: 453.36996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OC)Br

InChI

InChI=1S/C21H29BrN2O4/c1-27-16-13-17(19(28-2)18(22)14-16)21(26)24-11-7-15(8-12-24)20(25)23-9-5-3-4-6-10-23/h13-15H,3-12H2,1-2H3