5-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(4-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-2-(4-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=NC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=NC=C5)OC

InChI

InChI=1S/C25H20N4O2/c1-30-21-10-8-18(15-22(21)31-2)23-20-9-7-16-5-3-4-6-19(16)24(20)27-25(29-28-23)17-11-13-26-14-12-17/h3-15,28H,1-2H3