3-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]azepin-2-imine

Systemtic Name: 3-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]azepin-2-imine Openeye Name: 3-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]azepin-2-imine CAS Name: 3-[[2-phenyl-5-(trifluoromethyl)-3-pyrazolyl]methyl]-2-azepinimine IUPAC Name: 3-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]azepin-2-imine Traditional Name: [3-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]azepin-2-ylidene]amine Formula: C17H13F3N4 MolecularWeight: 330.30713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)CC3=CC=CC=NC3=N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)CC3=CC=CC=NC3=N

InChI

InChI=1S/C17H13F3N4/c18-17(19,20)15-11-14(10-12-6-4-5-9-22-16(12)21)24(23-15)13-7-2-1-3-8-13/h1-9,11,21H,10H2