(5-bromanyl-2-chloranyl-phenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (5-bromo-2-chloro-phenyl)-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (5-bromo-2-chlorophenyl)-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-chlorophenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (5-bromo-2-chloro-phenyl)-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]methanone Formula: C21H25BrClN5O MolecularWeight: 478.8131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H25BrClN5O/c1-15-4-6-26(7-5-15)19-13-20(25-14-24-19)27-8-10-28(11-9-27)21(29)17-12-16(22)2-3-18(17)23/h2-3,12-15H,4-11H2,1H3