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

Systemtic Name: 5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine Openeye Name: 5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine Traditional Name: 5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine Formula: C21H15ClFN3O MolecularWeight: 379.814703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H15ClFN3O/c1-27-17-9-10-19-18(12-17)20(14-3-2-4-15(22)11-14)25-26-21(24-19)13-5-7-16(23)8-6-13/h2-12,25H,1H3