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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4/c1-2-11-24-21(26)16-8-4-3-7-15(16)19(23-24)20(25)22-12-14-13-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3,(H,22,25)/t14-/m0/s1