3-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl]phthalazine-1-carboxylate Formula: C23H20N5O5- MolecularWeight: 446.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C23H21N5O5/c1-13-18(22(31)28(26(13)3)15-9-5-4-6-10-15)24-20(29)14(2)27-21(30)17-12-8-7-11-16(17)19(25-27)23(32)33/h4-12,14H,1-3H3,(H,24,29)(H,32,33)/p-1/t14-/m0/s1