2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 5-[4-(4-methoxyphenyl)phenyl]-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H25N3O2/c1-3-34-25-18-14-23(15-19-25)29-30-27-7-5-4-6-26(27)28(31-32-29)22-10-8-20(9-11-22)21-12-16-24(33-2)17-13-21/h4-19,31H,3H2,1-2H3