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

Systemtic Name: 3-butyl-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H27N3 MolecularWeight: 297.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3/c1-4-5-9-17-16-8-6-7-12-20-19(16)22(21-17)18-13-14(2)10-11-15(18)3/h10-11,13,21H,4-9,12H2,1-3H3