N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-keto-phthalazine-1-carboxamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-18(2)25(20-12-13-23-24(16-20)35-15-14-34-23)29-27(32)26-21-10-6-7-11-22(21)28(33)31(30-26)17-19-8-4-3-5-9-19/h3-13,16,18,25H,14-15,17H2,1-2H3,(H,29,32)