3-[2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-oxidanylidene-1H-1,2,4-triazol-5-yl]-1-methyl-indole-5-carbonitrile

Systemtic Name: 3-[2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-oxidanylidene-1H-1,2,4-triazol-5-yl]-1-methyl-indole-5-carbonitrile Openeye Name: 3-[2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-oxo-1H-1,2,4-triazol-5-yl]-1-methyl-indole-5-carbonitrile CAS Name: 3-[2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-3-oxo-1H-1,2,4-triazol-5-yl]-1-methyl-5-indolecarbonitrile IUPAC Name: 3-[2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-oxo-1H-1,2,4-triazol-5-yl]-1-methylindole-5-carbonitrile Traditional Name: 3-[2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-keto-1H-1,2,4-triazol-5-yl]-1-methyl-indole-5-carbonitrile Formula: C23H20FN7O MolecularWeight: 429.449603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C#N)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C#N)C3=NC(=O)N(N3)C4=CN(C5=C4C=C(C=C5)F)CCCN

InChI

InChI=1S/C23H20FN7O/c1-29-12-18(16-9-14(11-26)3-5-19(16)29)22-27-23(32)31(28-22)21-13-30(8-2-7-25)20-6-4-15(24)10-17(20)21/h3-6,9-10,12-13H,2,7-8,25H2,1H3,(H,27,28,32)