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

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

CC1CCCC(N=C1N)C2=CN(N=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1CCCC(N=C1N)C2=CN(N=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C17H19F3N4/c1-11-6-5-9-14(22-16(11)21)13-10-24(12-7-3-2-4-8-12)23-15(13)17(18,19)20/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H2,21,22)