7-ethoxy-5-(4-propoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethoxy-5-(4-propoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-(4-propoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-(4-propoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-(4-propoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-5-(4-propoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)OCC

InChI

InChI=1S/C24H24N4O2/c1-3-15-30-19-7-5-17(6-8-19)23-21-16-20(29-4-2)9-10-22(21)26-24(28-27-23)18-11-13-25-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3