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

Systemtic Name: 3-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]phthalazine-1-carboxylic acid CAS Name: 3-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]phthalazine-1-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C22H23N3O4/c1-3-12-24(13-16-10-8-15(2)9-11-16)19(26)14-25-21(27)18-7-5-4-6-17(18)20(23-25)22(28)29/h4-11H,3,12-14H2,1-2H3,(H,28,29)