(2S)-N-(1,3-benzodioxol-5-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H18N4O5/c1-11(19(26)22-12-6-7-16-17(8-12)29-10-28-16)21-18(25)9-15-13-4-2-3-5-14(13)20(27)24-23-15/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,26)(H,24,27)/t11-/m0/s1