8-ethoxy-4-(4-fluorophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethoxy-4-(4-fluorophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-4-(4-fluorophenyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-4-(4-fluorophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-4-(4-fluorophenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-4-(4-fluorophenyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C21H17FN4O MolecularWeight: 360.384283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O/c1-2-27-17-7-8-18-19(13-17)25-21(15-9-11-23-12-10-15)26-20(24-18)14-3-5-16(22)6-4-14/h3-13H,2H2,1H3,(H,24,25,26)