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

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-2-thienyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-2-thiophenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromothiophen-2-yl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-2-thienyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4=CC=C(S4)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4=CC=C(S4)Br

InChI

InChI=1S/C18H18BrN3S/c1-12-5-4-6-13(11-12)22-18-14(7-2-3-10-20-18)17(21-22)15-8-9-16(19)23-15/h4-6,8-9,11,21H,2-3,7,10H2,1H3