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

Systemtic Name: 5-(4-butoxyphenyl)-7-ethoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(3-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=CN=CC=C4)OCC

Isomeric SMILES

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

InChI

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