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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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