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

Systemtic Name: 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-chlorophenyl)-1-o-phenetyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O/c1-2-26-19-12-4-3-11-18(19)25-21-17(10-5-6-13-23-21)20(24-25)15-8-7-9-16(22)14-15/h3-4,7-9,11-12,14,24H,2,5-6,10,13H2,1H3