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

Systemtic Name: 3-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-o-phenetyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3OCC

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3OCC

InChI

InChI=1S/C19H27N3O/c1-3-5-11-16-15-10-8-9-14-20-19(15)22(21-16)17-12-6-7-13-18(17)23-4-2/h6-7,12-13,21H,3-5,8-11,14H2,1-2H3