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

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-2-thienyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-2-thiophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-2-thienyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=C(S4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=C(S4)Br

InChI

InChI=1S/C18H18BrN3OS/c1-23-13-7-5-12(6-8-13)22-18-14(4-2-3-11-20-18)17(21-22)15-9-10-16(19)24-15/h5-10,21H,2-4,11H2,1H3