4-[1-(3-azanylpropyl)-6-phenylmethoxy-indol-3-yl]-3-(5-fluoranyl-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[1-(3-azanylpropyl)-6-phenylmethoxy-indol-3-yl]-3-(5-fluoranyl-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one Openeye Name: 4-[1-(3-aminopropyl)-6-benzyloxy-indol-3-yl]-3-(5-fluoro-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one CAS Name: 4-[1-(3-aminopropyl)-6-phenylmethoxy-3-indolyl]-3-(5-fluoro-1-methyl-3-indolyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-3-(5-fluoro-1-methylindol-3-yl)-1H-1,2,4-triazol-5-one Traditional Name: 4-[1-(3-aminopropyl)-6-benzoxy-indol-3-yl]-3-(5-fluoro-1-methyl-indol-3-yl)-1H-1,2,4-triazol-5-one Formula: C29H27FN6O2 MolecularWeight: 510.562083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)F)C3=NNC(=O)N3C4=CN(C5=C4C=CC(=C5)OCC6=CC=CC=C6)CCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)F)C3=NNC(=O)N3C4=CN(C5=C4C=CC(=C5)OCC6=CC=CC=C6)CCCN

InChI

InChI=1S/C29H27FN6O2/c1-34-16-24(23-14-20(30)8-11-25(23)34)28-32-33-29(37)36(28)27-17-35(13-5-12-31)26-15-21(9-10-22(26)27)38-18-19-6-3-2-4-7-19/h2-4,6-11,14-17H,5,12-13,18,31H2,1H3,(H,33,37)