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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,3-dimethylphenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,3-dimethylphenyl)-3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,3-dimethylphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,3-dimethylphenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H22N4 MolecularWeight: 318.41548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4/c1-14-7-5-10-18(15(14)2)24-20-17(9-3-4-12-22-20)19(23-24)16-8-6-11-21-13-16/h5-8,10-11,13,23H,3-4,9,12H2,1-2H3