7-ethoxy-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-2-(4-methoxyphenyl)-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OCC

InChI

InChI=1S/C25H25N3O3/c1-4-30-20-12-6-17(7-13-20)24-22-16-21(31-5-2)14-15-23(22)26-25(28-27-24)18-8-10-19(29-3)11-9-18/h6-16,27H,4-5H2,1-3H3