(5Z)-4-[5-fluoranyl-1-(3-oxidanylpropyl)indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one

Systemtic Name: (5Z)-4-[5-fluoranyl-1-(3-oxidanylpropyl)indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one Openeye Name: (5Z)-4-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one CAS Name: (5Z)-4-[5-fluoro-1-(3-hydroxypropyl)-3-indolyl]-5-(3-indolylidene)-1,2,4-triazolidin-3-one IUPAC Name: (5Z)-4-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one Traditional Name: (5Z)-4-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one Formula: C21H18FN5O2 MolecularWeight: 391.398323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCO)C=N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\3/NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCO)/C=N2

InChI

InChI=1S/C21H18FN5O2/c22-13-6-7-18-15(10-13)19(12-26(18)8-3-9-28)27-20(24-25-21(27)29)16-11-23-17-5-2-1-4-14(16)17/h1-2,4-7,10-12,24,28H,3,8-9H2,(H,25,29)/b20-16-