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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[benzyl(phenethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[benzyl(phenethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[benzyl(phenethyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4/c30-23(18-29-25(31)22-14-8-7-13-21(22)24(27-29)26(32)33)28(17-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14H,15-18H2,(H,32,33)