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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)N4CCCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)N4CCCCC4

InChI

InChI=1S/C21H26BrN5O/c1-16-23-19(25-9-5-2-6-10-25)15-20(24-16)26-11-13-27(14-12-26)21(28)17-7-3-4-8-18(17)22/h3-4,7-8,15H,2,5-6,9-14H2,1H3