1-methyl-N4-[3-(4-methylpiperazin-1-yl)propyl]-N2-oxidanyl-3-phenylmethoxy-pyrrole-2,4-dicarboxamide

Systemtic Name: 1-methyl-N4-[3-(4-methylpiperazin-1-yl)propyl]-N2-oxidanyl-3-phenylmethoxy-pyrrole-2,4-dicarboxamide Openeye Name: 4-benzyloxy-5-(hydroxycarbamoyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-3-carboxamide CAS Name: N2-hydroxy-1-methyl-N4-[3-(4-methyl-1-piperazinyl)propyl]-3-phenylmethoxypyrrole-2,4-dicarboxamide IUPAC Name: 2-N-hydroxy-1-methyl-4-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylmethoxypyrrole-2,4-dicarboxamide Traditional Name: 4-benzoxy-5-(hydroxycarbamoyl)-1-methyl-N-[3-(4-methylpiperazino)propyl]pyrrole-3-carboxamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CN(C(=C2OCC3=CC=CC=C3)C(=O)NO)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CN(C(=C2OCC3=CC=CC=C3)C(=O)NO)C

InChI

InChI=1S/C22H31N5O4/c1-25-11-13-27(14-12-25)10-6-9-23-21(28)18-15-26(2)19(22(29)24-30)20(18)31-16-17-7-4-3-5-8-17/h3-5,7-8,15,30H,6,9-14,16H2,1-2H3,(H,23,28)(H,24,29)