2-(4-fluorophenyl)-7-methoxy-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-fluorophenyl)-7-methoxy-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-7-methoxy-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-7-methoxy-5-(5-methyl-2-furanyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-7-methoxy-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-7-methoxy-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine Formula: C20H16FN3O2 MolecularWeight: 349.358343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C20H16FN3O2/c1-12-3-10-18(26-12)19-16-11-15(25-2)8-9-17(16)22-20(24-23-19)13-4-6-14(21)7-5-13/h3-11,23H,1-2H3