1-(2-ethylhexyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(2-ethylhexyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(2-ethylhexyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-(2-ethylhexyl)-3-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-(2-ethylhexyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(2-ethylhexyl)-3-[2-methyl-4-(4-methylpiperazino)phenyl]urea Formula: C21H36N4O MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C)C

Isomeric SMILES

CCCCC(CC)CNC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C)C

InChI

InChI=1S/C21H36N4O/c1-5-7-8-18(6-2)16-22-21(26)23-20-10-9-19(15-17(20)3)25-13-11-24(4)12-14-25/h9-10,15,18H,5-8,11-14,16H2,1-4H3,(H2,22,23,26)