3-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(N-benzyl-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C25H21N3O4/c1-17-8-7-11-19(14-17)27(15-18-9-3-2-4-10-18)22(29)16-28-24(30)21-13-6-5-12-20(21)23(26-28)25(31)32/h2-14H,15-16H2,1H3,(H,31,32)