4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-naphthalen-1-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-naphthalen-1-yl-1H-1,2,4-triazol-5-one Openeye Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(1-naphthyl)-1H-1,2,4-triazol-5-one CAS Name: 4-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-3-(1-naphthalenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-naphthalen-1-yl-1H-1,2,4-triazol-5-one Traditional Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(1-naphthyl)-1H-1,2,4-triazol-5-one Formula: C23H20FN5O MolecularWeight: 401.436203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C23H20FN5O/c24-16-9-10-20-19(13-16)21(14-28(20)12-4-11-25)29-22(26-27-23(29)30)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-10,13-14H,4,11-12,25H2,(H,27,30)