4-(4-fluorophenyl)-8-methoxy-2-(4-propoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-fluorophenyl)-8-methoxy-2-(4-propoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-fluorophenyl)-8-methoxy-2-(4-propoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-fluorophenyl)-8-methoxy-2-(4-propoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-fluorophenyl)-8-methoxy-2-(4-propoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-fluorophenyl)-8-methoxy-2-(4-propoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C24H22FN3O2 MolecularWeight: 403.448783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O2/c1-3-14-30-19-10-6-17(7-11-19)24-27-22-15-20(29-2)12-13-21(22)26-23(28-24)16-4-8-18(25)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,26,27,28)