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

Systemtic Name: 3-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-keto-phthalazine-1-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4/c1-2-3-12-25-22(27)17-9-5-4-8-16(17)20(24-25)21(26)23-13-15-14-28-18-10-6-7-11-19(18)29-15/h4-11,15H,2-3,12-14H2,1H3,(H,23,26)/t15-/m0/s1