7-fluoranyl-2-phenyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-2-phenyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-2-phenyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-2-phenyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-2-phenyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-phenyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C23H20FN3O MolecularWeight: 373.422803

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

InChI

InChI=1S/C23H20FN3O/c1-2-14-28-19-11-8-16(9-12-19)22-20-15-18(24)10-13-21(20)25-23(27-26-22)17-6-4-3-5-7-17/h3-13,15,26H,2,14H2,1H3