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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylethanone Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(C4=CC=CC=C43)NCC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(C4=CC=CC=C43)NCC=C

InChI

InChI=1S/C24H27N5O2S/c1-3-12-25-23-20-6-4-5-7-21(20)24(27-26-23)32-17-22(30)29-15-13-28(14-16-29)18-8-10-19(31-2)11-9-18/h3-11H,1,12-17H2,2H3,(H,25,26)