5-(2-fluoranylphenoxy)-2-methyl-8-pyrimidin-5-yl-1,3,4,5-tetrahydro-2-benzazepine

Systemtic Name: 5-(2-fluoranylphenoxy)-2-methyl-8-pyrimidin-5-yl-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 5-(2-fluorophenoxy)-2-methyl-8-pyrimidin-5-yl-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 5-(2-fluorophenoxy)-2-methyl-8-(5-pyrimidinyl)-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 5-(2-fluorophenoxy)-2-methyl-8-pyrimidin-5-yl-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 5-(2-fluorophenoxy)-2-methyl-8-(5-pyrimidyl)-1,3,4,5-tetrahydro-2-benzazepine Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C2=C(C1)C=C(C=C2)C3=CN=CN=C3)OC4=CC=CC=C4F

Isomeric SMILES

CN1CCC(C2=C(C1)C=C(C=C2)C3=CN=CN=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O/c1-25-9-8-20(26-21-5-3-2-4-19(21)22)18-7-6-15(10-16(18)13-25)17-11-23-14-24-12-17/h2-7,10-12,14,20H,8-9,13H2,1H3