4-(4-chlorophenyl)-8-ethyl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-chlorophenyl)-8-ethyl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-chlorophenyl)-8-ethyl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-chlorophenyl)-8-ethyl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C21H17ClN4 MolecularWeight: 360.83948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4/c1-2-14-3-8-18-19(13-14)25-21(16-9-11-23-12-10-16)26-20(24-18)15-4-6-17(22)7-5-15/h3-13H,2H2,1H3,(H,24,25,26)