3-[3-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[[(1S)-3-methoxy-3-oxo-1-(p-tolyl)propyl]amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxopropyl]amino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxopropyl]amino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[[(1S)-3-keto-3-methoxy-1-(p-tolyl)propyl]amino]propyl]phthalazin-1-olate Formula: C22H22N3O5- MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C22H23N3O5/c1-14-7-9-15(10-8-14)18(13-20(27)30-2)23-19(26)11-12-25-22(29)17-6-4-3-5-16(17)21(28)24-25/h3-10,18H,11-13H2,1-2H3,(H,23,26)(H,24,28)/p-1/t18-/m0/s1