1-[4-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]but-3-ynyl]-1-oxidanyl-urea

Systemtic Name: 1-[4-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]but-3-ynyl]-1-oxidanyl-urea Openeye Name: 1-hydroxy-1-[4-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]but-3-ynyl]urea CAS Name: 1-hydroxy-1-[4-[4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]but-3-ynyl]urea IUPAC Name: 1-hydroxy-1-[4-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]but-3-ynyl]urea Traditional Name: 1-hydroxy-1-[4-[4-[3-(4-methylpiperazino)propoxy]phenyl]but-3-ynyl]urea Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC=C(C=C2)C#CCCN(C(=O)N)O

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC=C(C=C2)C#CCCN(C(=O)N)O

InChI

InChI=1S/C19H28N4O3/c1-21-12-14-22(15-13-21)10-4-16-26-18-8-6-17(7-9-18)5-2-3-11-23(25)19(20)24/h6-9,25H,3-4,10-16H2,1H3,(H2,20,24)