8-fluoranyl-4-(4-methoxyphenyl)-2-phenyl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-fluoranyl-4-(4-methoxyphenyl)-2-phenyl-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-4-(4-methoxyphenyl)-2-phenyl-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-4-(4-methoxyphenyl)-2-phenyl-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-4-(4-methoxyphenyl)-2-phenyl-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-4-(4-methoxyphenyl)-2-phenyl-1H-1,3,5-benzotriazepine Formula: C21H16FN3O MolecularWeight: 345.369643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H16FN3O/c1-26-17-10-7-15(8-11-17)21-23-18-12-9-16(22)13-19(18)24-20(25-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,24,25)