[3-(tert-butylamino)-1-(5-fluoranylindol-1-yl)-4-pyridin-2-yl-piperazin-2-ylidene]methanone hydrochloride

Systemtic Name: [3-(tert-butylamino)-1-(5-fluoranylindol-1-yl)-4-pyridin-2-yl-piperazin-2-ylidene]methanone hydrochloride Openeye Name: [3-(tert-butylamino)-1-(5-fluoroindol-1-yl)-4-(2-pyridyl)piperazin-2-ylidene]methanone hydrochloride CAS Name: [3-(tert-butylamino)-1-(5-fluoro-1-indolyl)-4-(2-pyridinyl)-2-piperazinylidene]methanone hydrochloride IUPAC Name: [3-(tert-butylamino)-1-(5-fluoroindol-1-yl)-4-pyridin-2-ylpiperazin-2-ylidene]methanone hydrochloride Traditional Name: [3-(tert-butylamino)-1-(5-fluoroindol-1-yl)-4-(2-pyridyl)piperazin-2-ylidene]methanone hydrochloride Formula: C22H25ClFN5O MolecularWeight: 429.918203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)F.Cl

Isomeric SMILES

CC(C)(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)F.Cl

InChI

InChI=1S/C22H24FN5O.ClH/c1-22(2,3)25-21-19(15-29)28(13-12-26(21)20-6-4-5-10-24-20)27-11-9-16-14-17(23)7-8-18(16)27;/h4-11,14,21,25H,12-13H2,1-3H3;1H