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

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

Isomeric SMILES

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

InChI

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