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

Systemtic Name: 7-fluoranyl-5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Formula: C21H16FN3O MolecularWeight: 345.369643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

InChI

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