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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,3-dimethylphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,3-dimethylphenyl)-3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,3-dimethylphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,3-dimethylphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H21N5 MolecularWeight: 319.40354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4)C

InChI

InChI=1S/C19H21N5/c1-13-6-5-8-17(14(13)2)24-19-15(7-3-4-9-22-19)18(23-24)16-12-20-10-11-21-16/h5-6,8,10-12,23H,3-4,7,9H2,1-2H3