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

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-piperidinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H24ClF3N4 MolecularWeight: 412.87957

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CN1CCC(CC1)C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C20H24ClF3N4/c1-27-10-7-13(8-11-27)18-15-4-2-3-9-25-19(15)28(26-18)17-12-14(20(22,23)24)5-6-16(17)21/h5-6,12-13,26H,2-4,7-11H2,1H3