4-[3-(tert-butylamino)pyrazin-2-yl]-1-(5-fluoranylindol-1-yl)piperazine-2-carbaldehyde

Systemtic Name: 4-[3-(tert-butylamino)pyrazin-2-yl]-1-(5-fluoranylindol-1-yl)piperazine-2-carbaldehyde Openeye Name: 4-[3-(tert-butylamino)pyrazin-2-yl]-1-(5-fluoroindol-1-yl)piperazine-2-carbaldehyde CAS Name: 4-[3-(tert-butylamino)-2-pyrazinyl]-1-(5-fluoro-1-indolyl)-2-piperazinecarboxaldehyde IUPAC Name: 4-[3-(tert-butylamino)pyrazin-2-yl]-1-(5-fluoroindol-1-yl)piperazine-2-carbaldehyde Traditional Name: 4-[3-(tert-butylamino)pyrazin-2-yl]-1-(5-fluoroindol-1-yl)piperazine-2-carbaldehyde Formula: C21H25FN6O MolecularWeight: 396.461203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=CN=C1N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)F

Isomeric SMILES

CC(C)(C)NC1=NC=CN=C1N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)F

InChI

InChI=1S/C21H25FN6O/c1-21(2,3)25-19-20(24-8-7-23-19)26-10-11-27(17(13-26)14-29)28-9-6-15-12-16(22)4-5-18(15)28/h4-9,12,14,17H,10-11,13H2,1-3H3,(H,23,25)