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

Systemtic Name: 5-(2-fluoranylphenoxy)-2-methyl-8-pyrimidin-2-yl-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 5-(2-fluorophenoxy)-2-methyl-8-pyrimidin-2-yl-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 5-(2-fluorophenoxy)-2-methyl-8-(2-pyrimidinyl)-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 5-(2-fluorophenoxy)-2-methyl-8-pyrimidin-2-yl-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 5-(2-fluorophenoxy)-2-methyl-8-(2-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=NC=CC=N3)OC4=CC=CC=C4F

Isomeric SMILES

CN1CCC(C2=C(C1)C=C(C=C2)C3=NC=CC=N3)OC4=CC=CC=C4F

InChI

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