3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[[(4S)-chroman-4-yl]amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[[(4S)-chroman-4-yl]amino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C20H18N3O4- MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H19N3O4/c24-18(21-16-10-12-27-17-8-4-3-7-15(16)17)9-11-23-20(26)14-6-2-1-5-13(14)19(25)22-23/h1-8,16H,9-12H2,(H,21,24)(H,22,25)/p-1/t16-/m0/s1