(4-bromanyl-3-methyl-phenyl)-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]methanone Openeye Name: (4-bromo-3-methyl-phenyl)-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]methanone CAS Name: [4-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]-(4-bromo-3-methylphenyl)methanone IUPAC Name: (4-bromo-3-methylphenyl)-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]methanone Traditional Name: (4-bromo-3-methyl-phenyl)-[4-(4,6-dipyrrolidino-s-triazin-2-yl)piperazino]methanone Formula: C23H30BrN7O MolecularWeight: 500.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCCC4)N5CCCC5)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)N4CCCC4)N5CCCC5)Br

InChI

InChI=1S/C23H30BrN7O/c1-17-16-18(6-7-19(17)24)20(32)28-12-14-31(15-13-28)23-26-21(29-8-2-3-9-29)25-22(27-23)30-10-4-5-11-30/h6-7,16H,2-5,8-15H2,1H3