2-(4-chlorophenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(4-chlorophenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine CAS Name: 2-(4-chlorophenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine Formula: C21H15ClFN3O MolecularWeight: 379.814703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

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