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

Systemtic Name: 2-(3,4-diethoxyphenyl)-8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-diethoxyphenyl)-8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-diethoxyphenyl)-8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-diethoxyphenyl)-8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-diethoxyphenyl)-8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=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/C26H26FN3O3/c1-4-31-20-12-13-21-22(16-20)29-26(30-25(28-21)17-7-10-19(27)11-8-17)18-9-14-23(32-5-2)24(15-18)33-6-3/h7-16H,4-6H2,1-3H3,(H,28,29,30)