N'-(5-bromanyl-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]benzohydrazide

Systemtic Name: N'-(5-bromanyl-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]benzohydrazide Openeye Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]benzohydrazide CAS Name: N'-(5-bromo-2-cyano-4-pyrimidinyl)-N'-(cyclopentylmethyl)-3-[(4-methyl-1-piperazinyl)methyl]benzohydrazide IUPAC Name: N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(cyclopentylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]benzohydrazide Traditional Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-(cyclopentylmethyl)-3-[(4-methylpiperazino)methyl]benzohydrazide Formula: C24H30BrN7O MolecularWeight: 512.4453

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC(=C2)C(=O)NN(CC3CCCC3)C4=NC(=NC=C4Br)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC(=C2)C(=O)NN(CC3CCCC3)C4=NC(=NC=C4Br)C#N

InChI

InChI=1S/C24H30BrN7O/c1-30-9-11-31(12-10-30)16-19-7-4-8-20(13-19)24(33)29-32(17-18-5-2-3-6-18)23-21(25)15-27-22(14-26)28-23/h4,7-8,13,15,18H,2-3,5-6,9-12,16-17H2,1H3,(H,29,33)