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

Systemtic Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-2-(4-methoxyphenyl)-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C25H25N3O2/c1-4-17-6-15-23-22(16-17)24(18-7-13-21(14-8-18)30-5-2)27-28-25(26-23)19-9-11-20(29-3)12-10-19/h6-16,27H,4-5H2,1-3H3