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

Systemtic Name: 1-ethyl-3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-ethyl-3-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-ethyl-3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-ethyl-3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-ethyl-3-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H21N3 MolecularWeight: 255.35804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NCCCCC2=C(N1)C3=CC=CC=C3C

Isomeric SMILES

CCN1C2=NCCCCC2=C(N1)C3=CC=CC=C3C

InChI

InChI=1S/C16H21N3/c1-3-19-16-14(10-6-7-11-17-16)15(18-19)13-9-5-4-8-12(13)2/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3