N'-(5-bromanyl-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-4-[[4-(4-methylpiperazin-1-yl)carbonylpiperidin-1-yl]methyl]benzohydrazide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N'-(5-bromanyl-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-4-[[4-(4-methylpiperazin-1-yl)carbonylpiperidin-1-yl]methyl]benzohydrazide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-4-[[4-(4-methylpiperazine-1-carbonyl)-1-piperidyl]methyl]benzohydrazide; 2,2,2-trifluoroacetic acid CAS Name: N'-(5-bromo-2-cyano-4-pyrimidinyl)-N'-(cyclopentylmethyl)-4-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]methyl]benzohydrazide; 2,2,2-trifluoroacetic acid IUPAC Name: N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(cyclopentylmethyl)-4-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide; 2,2,2-trifluoroacetic acid Traditional Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-4-[[4-(4-methylpiperazine-1-carbonyl)piperidino]methyl]benzohydrazide; 2,2,2-trifluoroacetic acid Formula: C32H40BrF3N8O4 MolecularWeight: 737.61041

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)NN(CC4CCCC4)C5=NC(=NC=C5Br)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)NN(CC4CCCC4)C5=NC(=NC=C5Br)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H39BrN8O2.C2HF3O2/c1-36-14-16-38(17-15-36)30(41)25-10-12-37(13-11-25)20-23-6-8-24(9-7-23)29(40)35-39(21-22-4-2-3-5-22)28-26(31)19-33-27(18-32)34-28;3-2(4,5)1(6)7/h6-9,19,22,25H,2-5,10-17,20-21H2,1H3,(H,35,40);(H,6,7)