8-chloranyl-2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-chloranyl-2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Formula: C22H17ClFN3O2 MolecularWeight: 409.840683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C22H17ClFN3O2/c1-28-19-10-5-14(11-20(19)29-2)22-26-18-12-15(23)6-9-17(18)25-21(27-22)13-3-7-16(24)8-4-13/h3-12H,1-2H3,(H,25,26,27)