(4-bromophenyl)-[4-[1-(2-methylpyrimidin-4-yl)-4-oxidanyl-piperidin-4-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[1-(2-methylpyrimidin-4-yl)-4-oxidanyl-piperidin-4-yl]carbonylpiperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[4-hydroxy-1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[[4-hydroxy-1-(2-methyl-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-[4-hydroxy-1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[4-hydroxy-1-(2-methylpyrimidin-4-yl)isonipecotoyl]piperazino]methanone Formula: C22H26BrN5O3 MolecularWeight: 488.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCC(CC2)(C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=NC=CC(=N1)N2CCC(CC2)(C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H26BrN5O3/c1-16-24-9-6-19(25-16)26-10-7-22(31,8-11-26)21(30)28-14-12-27(13-15-28)20(29)17-2-4-18(23)5-3-17/h2-6,9,31H,7-8,10-15H2,1H3