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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=NC(=O)N(N4)C5=CN(C6=C5C=C(C=C6)F)CCCN

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=NC(=O)N(N4)C5=CN(C6=C5C=C(C=C6)F)CCCN

InChI

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