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

Systemtic Name: 2-(4-chlorophenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-7-ethoxy-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C24H22ClN3O2 MolecularWeight: 419.90338

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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)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O2/c1-3-29-19-11-7-16(8-12-19)23-21-15-20(30-4-2)13-14-22(21)26-24(28-27-23)17-5-9-18(25)10-6-17/h5-15,27H,3-4H2,1-2H3