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

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethoxy-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethoxy-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Formula: C26H26ClN3O2 MolecularWeight: 447.95654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O2/c1-3-5-16-32-21-12-8-18(9-13-21)25-23-17-22(31-4-2)14-15-24(23)28-26(30-29-25)19-6-10-20(27)11-7-19/h6-15,17,29H,3-5,16H2,1-2H3