3-tert-butyl-1-(4-fluorophenyl)-1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Systemtic Name: 3-tert-butyl-1-(4-fluorophenyl)-1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Openeye Name: 3-tert-butyl-1-(4-fluorophenyl)-1-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]urea CAS Name: 3-tert-butyl-1-(4-fluorophenyl)-1-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]urea IUPAC Name: 3-tert-butyl-1-(4-fluorophenyl)-1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Traditional Name: 3-tert-butyl-1-(4-fluorophenyl)-1-[[6-(4-methylpiperazino)-3-pyridyl]methyl]urea Formula: C22H30FN5O MolecularWeight: 399.504903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CN=C(C=C1)N2CCN(CC2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CN=C(C=C1)N2CCN(CC2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H30FN5O/c1-22(2,3)25-21(29)28(19-8-6-18(23)7-9-19)16-17-5-10-20(24-15-17)27-13-11-26(4)12-14-27/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)