1-(4-isoquinolin-5-ylphenyl)-3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(4-isoquinolin-5-ylphenyl)-3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(5-isoquinolyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(5-isoquinolinyl)phenyl]-3-[4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(4-isoquinolin-5-ylphenyl)-3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(5-isoquinolyl)phenyl]-3-[4-(4-methylpiperazino)-3-(trifluoromethyl)phenyl]urea Formula: C28H26F3N5O MolecularWeight: 505.53415

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=CC=CC5=C4C=CN=C5)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=CC=CC5=C4C=CN=C5)C(F)(F)F

InChI

InChI=1S/C28H26F3N5O/c1-35-13-15-36(16-14-35)26-10-9-22(17-25(26)28(29,30)31)34-27(37)33-21-7-5-19(6-8-21)23-4-2-3-20-18-32-12-11-24(20)23/h2-12,17-18H,13-16H2,1H3,(H2,33,34,37)