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

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-isobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-isobutyl-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)CC1=C2CCCCN=C2N(N1)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)CC1=C2CCCCN=C2N(N1)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H21ClF3N3/c1-11(2)9-15-13-5-3-4-8-23-17(13)25(24-15)16-7-6-12(19)10-14(16)18(20,21)22/h6-7,10-11,24H,3-5,8-9H2,1-2H3