1-[4-[4-azanyl-7-[(3-oxidanylidenepiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-[4-azanyl-7-[(3-oxidanylidenepiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-[4-amino-7-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[4-amino-7-[(3-oxo-1-piperazinyl)methyl]-5-pyrrolo[2,1-f][1,2,4]triazinyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-[4-amino-7-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-[4-amino-7-[(3-ketopiperazino)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea Formula: C25H22F4N8O2 MolecularWeight: 542.488193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=CC(=C3N2N=CN=C3N)C4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F

Isomeric SMILES

C1CN(CC(=O)N1)CC2=CC(=C3N2N=CN=C3N)C4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F

InChI

InChI=1S/C25H22F4N8O2/c26-19-6-3-15(25(27,28)29)9-20(19)35-24(39)34-16-4-1-14(2-5-16)18-10-17(11-36-8-7-31-21(38)12-36)37-22(18)23(30)32-13-33-37/h1-6,9-10,13H,7-8,11-12H2,(H,31,38)(H2,30,32,33)(H2,34,35,39)