2-(4-bromophenyl)-7-ethyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-ethyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-ethyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-ethyl-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-ethyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-ethyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17BrN4 MolecularWeight: 405.29048

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)Br)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4/c1-2-14-5-10-19-18(12-14)20(16-4-3-11-23-13-16)25-26-21(24-19)15-6-8-17(22)9-7-15/h3-13,25H,2H2,1H3