1-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Systemtic Name: 1-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Openeye Name: 1-[(4-fluoro-3-methyl-phenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]urea CAS Name: 1-[(4-fluoro-3-methylphenyl)methyl]-3-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[(4-fluoro-3-methylphenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Traditional Name: 1-(4-fluoro-3-methyl-benzyl)-3-[[6-(4-methylpiperazino)-3-pyridyl]methyl]urea Formula: C20H26FN5O MolecularWeight: 371.451743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C)F

InChI

InChI=1S/C20H26FN5O/c1-15-11-16(3-5-18(15)21)12-23-20(27)24-14-17-4-6-19(22-13-17)26-9-7-25(2)8-10-26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H2,23,24,27)