7-fluoranyl-5-(5-methylfuran-2-yl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-5-(5-methylfuran-2-yl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-(5-methyl-2-furyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(5-methyl-2-furanyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(5-methylfuran-2-yl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(5-methyl-2-furyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C20H16FN3O MolecularWeight: 333.358943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(O4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(O4)C

InChI

InChI=1S/C20H16FN3O/c1-12-3-6-14(7-4-12)20-22-17-9-8-15(21)11-16(17)19(23-24-20)18-10-5-13(2)25-18/h3-11,23H,1-2H3