1-piperidin-1-yl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 1-(1-piperidinyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylethanone Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-1-piperidino-ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N3CCCCC3

Isomeric SMILES

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N3CCCCC3

InChI

InChI=1S/C18H22N4OS/c1-2-10-19-17-14-8-4-5-9-15(14)18(21-20-17)24-13-16(23)22-11-6-3-7-12-22/h2,4-5,8-9H,1,3,6-7,10-13H2,(H,19,20)