2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Formula: C26H26FN3O2 MolecularWeight: 431.501943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O2/c1-4-17-7-13-21-22(15-17)29-26(30-25(28-21)18-8-11-20(27)12-9-18)19-10-14-23(31-5-2)24(16-19)32-6-3/h7-16H,4-6H2,1-3H3,(H,28,29,30)