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

Systemtic Name: 1-(2-ethoxyphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-ethoxyphenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-ethoxyphenyl)-3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-ethoxyphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-o-phenetyl-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4O/c1-2-25-18-11-4-3-10-17(18)24-20-16(9-5-6-13-22-20)19(23-24)15-8-7-12-21-14-15/h3-4,7-8,10-12,14,23H,2,5-6,9,13H2,1H3