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

Systemtic Name: 1-(2-propan-2-ylphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-isopropylphenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-propan-2-ylphenyl)-3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-propan-2-ylphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-o-cumenyl-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H24N4 MolecularWeight: 332.44206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

InChI

InChI=1S/C21H24N4/c1-15(2)17-9-3-4-11-19(17)25-21-18(10-5-6-13-23-21)20(24-25)16-8-7-12-22-14-16/h3-4,7-9,11-12,14-15,24H,5-6,10,13H2,1-2H3