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

Systemtic Name: 3-azanyl-5-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C16H14F3N7 MolecularWeight: 361.32447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C16H14F3N7/c17-16(18,19)15-23-11-5-2-1-4-9(11)14(24-15)22-7-3-6-12-10(8-20)13(21)26-25-12/h1-2,4-5H,3,6-7H2,(H3,21,25,26)(H,22,23,24)