N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H15N3O4/c1-10(11-6-7-14-15(8-11)25-9-24-14)19-18(23)16-12-4-2-3-5-13(12)17(22)21-20-16/h2-8,10H,9H2,1H3,(H,19,23)(H,21,22)/t10-/m0/s1