2-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[[1-phenyl-3-(trifluoromethyl)-4-pyrazolyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C17H19F3N4 MolecularWeight: 336.35477

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2=CN(N=C2C(F)(F)F)C3=CC=CC=C3)N

Isomeric SMILES

C1CCC(=NC(C1)CC2=CN(N=C2C(F)(F)F)C3=CC=CC=C3)N

InChI

InChI=1S/C17H19F3N4/c18-17(19,20)16-12(10-13-6-4-5-9-15(21)22-13)11-24(23-16)14-7-2-1-3-8-14/h1-3,7-8,11,13H,4-6,9-10H2,(H2,21,22)