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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine Formula: C26H26ClN3 MolecularWeight: 415.95774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3/c1-5-17-6-15-23-22(16-17)24(18-9-13-21(27)14-10-18)29-30-25(28-23)19-7-11-20(12-8-19)26(2,3)4/h6-16,29H,5H2,1-4H3