3-azanyl-5-[5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[[2-(trifluoromethyl)-4-quinazolinyl]amino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C18H18F3N7 MolecularWeight: 389.37763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C18H18F3N7/c19-18(20,21)17-25-13-7-4-3-6-11(13)16(26-17)24-9-5-1-2-8-14-12(10-22)15(23)28-27-14/h3-4,6-7H,1-2,5,8-9H2,(H3,23,27,28)(H,24,25,26)