N-[2-[[6-[4-(4-bromanyl-3-methyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(4-bromanyl-3-methyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(4-bromo-3-methyl-benzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(4-bromo-3-methylphenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(4-bromo-3-methylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(4-bromo-3-methyl-benzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H29BrN6O2 MolecularWeight: 537.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C)Br

InChI

InChI=1S/C26H29BrN6O2/c1-18-16-21(8-9-22(18)27)26(35)33-14-12-32(13-15-33)24-17-23(29-11-10-28-19(2)34)30-25(31-24)20-6-4-3-5-7-20/h3-9,16-17H,10-15H2,1-2H3,(H,28,34)(H,29,30,31)