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

Systemtic Name: 5-(4-butoxyphenyl)-7-ethoxy-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethoxy-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethoxy-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)OCC

InChI

InChI=1S/C25H26N4O2/c1-3-5-16-31-20-8-6-18(7-9-20)24-22-17-21(30-4-2)10-11-23(22)27-25(29-28-24)19-12-14-26-15-13-19/h6-15,17,28H,3-5,16H2,1-2H3