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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylethanone Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5OS/c1-2-12-24-22-19-10-6-7-11-20(19)23(26-25-22)30-17-21(29)28-15-13-27(14-16-28)18-8-4-3-5-9-18/h2-11H,1,12-17H2,(H,24,25)