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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3,4-dimethylphenyl)-3-(2-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3,4-dimethylphenyl)-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-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=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=N4)C

InChI

InChI=1S/C20H22N4/c1-14-9-10-16(13-15(14)2)24-20-17(7-3-5-12-22-20)19(23-24)18-8-4-6-11-21-18/h4,6,8-11,13,23H,3,5,7,12H2,1-2H3