(3-bromophenyl)-[4-(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[2-methyl-6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(2-methyl-6-piperidino-pyrimidin-4-yl)piperazino]methanone Formula: C21H26BrN5O MolecularWeight: 444.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br)N4CCCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br)N4CCCCC4

InChI

InChI=1S/C21H26BrN5O/c1-16-23-19(25-8-3-2-4-9-25)15-20(24-16)26-10-12-27(13-11-26)21(28)17-6-5-7-18(22)14-17/h5-7,14-15H,2-4,8-13H2,1H3