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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,5-dimethylphenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,5-dimethylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,5-dimethylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,5-dimethylphenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H21N3S MolecularWeight: 323.45514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C3=NCCCCC3=C(N2)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C3=NCCCCC3=C(N2)C4=CC=CS4

InChI

InChI=1S/C19H21N3S/c1-13-8-9-14(2)16(12-13)22-19-15(6-3-4-10-20-19)18(21-22)17-7-5-11-23-17/h5,7-9,11-12,21H,3-4,6,10H2,1-2H3