[3-(2,2-dimethylpropylamino)-1-(5-fluoranylindol-1-yl)-4-pyridin-2-yl-piperazin-2-ylidene]methanone

Systemtic Name: [3-(2,2-dimethylpropylamino)-1-(5-fluoranylindol-1-yl)-4-pyridin-2-yl-piperazin-2-ylidene]methanone Openeye Name: [3-(2,2-dimethylpropylamino)-1-(5-fluoroindol-1-yl)-4-(2-pyridyl)piperazin-2-ylidene]methanone CAS Name: [3-(2,2-dimethylpropylamino)-1-(5-fluoro-1-indolyl)-4-(2-pyridinyl)-2-piperazinylidene]methanone IUPAC Name: [3-(2,2-dimethylpropylamino)-1-(5-fluoroindol-1-yl)-4-pyridin-2-ylpiperazin-2-ylidene]methanone Traditional Name: [1-(5-fluoroindol-1-yl)-3-(neopentylamino)-4-(2-pyridyl)piperazin-2-ylidene]methanone Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)F

Isomeric SMILES

CC(C)(C)CNC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)F

InChI

InChI=1S/C23H26FN5O/c1-23(2,3)16-26-22-20(15-30)29(13-12-27(22)21-6-4-5-10-25-21)28-11-9-17-14-18(24)7-8-19(17)28/h4-11,14,22,26H,12-13,16H2,1-3H3