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

Systemtic Name: 5-(4-butoxyphenyl)-7-fluoranyl-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine Formula: C24H22FN3O MolecularWeight: 387.449383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

InChI

InChI=1S/C24H22FN3O/c1-2-3-15-29-20-12-9-17(10-13-20)23-21-16-19(25)11-14-22(21)26-24(28-27-23)18-7-5-4-6-8-18/h4-14,16,27H,2-3,15H2,1H3