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

Systemtic Name: 5-(4-butoxyphenyl)-7-ethoxy-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethoxy-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethoxy-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethoxy-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethoxy-2-phenyl-4H-1,3,4-benzotriazepine Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c1-3-5-17-31-21-13-11-19(12-14-21)25-23-18-22(30-4-2)15-16-24(23)27-26(29-28-25)20-9-7-6-8-10-20/h6-16,18,28H,3-5,17H2,1-2H3