3-tert-butyl-1-[4-chloranyl-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-tert-butyl-1-[4-chloranyl-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-[4-chloro-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-[4-chloro-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-[4-chloro-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-[4-chloro-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H21ClF3N3 MolecularWeight: 371.82765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H21ClF3N3/c1-17(2,3)15-12-6-4-5-9-23-16(12)25(24-15)14-8-7-11(19)10-13(14)18(20,21)22/h7-8,10,24H,4-6,9H2,1-3H3