1-[2-oxidanyl-4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[[4-(4-pyridylmethyl)phthalazin-1-yl]amino]phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[[4-(pyridin-4-ylmethyl)-1-phthalazinyl]amino]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[[4-(4-pyridylmethyl)phthalazin-1-yl]amino]phenyl]ethanone Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)O

InChI

InChI=1S/C22H18N4O2/c1-14(27)17-7-6-16(13-21(17)28)24-22-19-5-3-2-4-18(19)20(25-26-22)12-15-8-10-23-11-9-15/h2-11,13,28H,12H2,1H3,(H,24,26)