4-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)-8-fluoranyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)-8-fluoranyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine CAS Name: 4-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine Formula: C24H21ClFN3O2 MolecularWeight: 437.893843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=C(C=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=C(C=C4)Cl)OCC

InChI

InChI=1S/C24H21ClFN3O2/c1-3-30-21-12-7-16(13-22(21)31-4-2)24-28-20-14-18(26)10-11-19(20)27-23(29-24)15-5-8-17(25)9-6-15/h5-14H,3-4H2,1-2H3,(H,27,28,29)