5-azanyl-1-phenyl-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-phenyl-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-phenyl-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-phenyl-3-[3-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]propyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-phenyl-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-phenyl-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]pyrazole-4-carbonitrile Formula: C18H16F3N7 MolecularWeight: 387.36175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC=CC(=N3)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC=CC(=N3)C(F)(F)F)C#N)N

InChI

InChI=1S/C18H16F3N7/c19-18(20,21)15-8-10-25-17(26-15)24-9-4-7-14-13(11-22)16(23)28(27-14)12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,23H2,(H,24,25,26)