5-(4-ethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-2-(4-fluorophenyl)-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C24H22FN3O MolecularWeight: 387.449383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C24H22FN3O/c1-3-16-5-14-22-21(15-16)23(17-8-12-20(13-9-17)29-4-2)27-28-24(26-22)18-6-10-19(25)11-7-18/h5-15,27H,3-4H2,1-2H3