2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-1-(3,5-dimethyl-1-piperidyl)ethanone CAS Name: 2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-(3,5-dimethyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]-1-(3,5-dimethylpiperidino)ethanone Formula: C21H30BrN3O3 MolecularWeight: 452.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br)C

InChI

InChI=1S/C21H30BrN3O3/c1-15-10-16(2)13-25(12-15)20(26)14-23-6-8-24(9-7-23)21(27)18-11-17(28-3)4-5-19(18)22/h4-5,11,15-16H,6-10,12-14H2,1-3H3