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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4/c1-14-6-7-15(2)18(13-14)24-20-17(5-3-4-10-22-20)19(23-24)16-8-11-21-12-9-16/h6-9,11-13,23H,3-5,10H2,1-2H3