2-(4-butoxyphenyl)-8-ethoxy-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(4-butoxyphenyl)-8-ethoxy-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-butoxyphenyl)-8-ethoxy-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-butoxyphenyl)-8-ethoxy-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OCC)C4=CC=NC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OCC)C4=CC=NC=C4

InChI

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