2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-fluoro-4H-1,3,4-benzotriazepine Formula: C24H21ClFN3 MolecularWeight: 405.895043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClFN3/c1-24(2,3)17-8-4-16(5-9-17)23-27-21-13-12-19(26)14-20(21)22(28-29-23)15-6-10-18(25)11-7-15/h4-14,28H,1-3H3