3-[(2S)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2S)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2S)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(1S)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C25H21N3O4/c1-16(28-24(30)20-15-9-8-14-19(20)22(27-28)25(31)32)23(29)26-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21H,1H3,(H,26,29)(H,31,32)/t16-/m0/s1