N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O4/c1-2-23-20(25)15-8-4-3-7-14(15)18(22-23)19(24)21-11-13-12-26-16-9-5-6-10-17(16)27-13/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m0/s1