3-(5-bromanylthiophen-2-yl)-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-2-thienyl)-1-(2-isopropylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-2-thiophenyl)-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromothiophen-2-yl)-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-2-thienyl)-1-o-cumenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H22BrN3S MolecularWeight: 416.37778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=C(S4)Br

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=C(S4)Br

InChI

InChI=1S/C20H22BrN3S/c1-13(2)14-7-3-4-9-16(14)24-20-15(8-5-6-12-22-20)19(23-24)17-10-11-18(21)25-17/h3-4,7,9-11,13,23H,5-6,8,12H2,1-2H3