5-(4-ethoxyphenyl)-2-(4-ethylphenyl)-7-methoxy-4H-1,3,4-benzotriazepine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)OCC

InChI

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