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

Systemtic Name: 3-[2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[benzyl(1-cyclopropylethyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H23N3O4/c1-15(17-11-12-17)25(13-16-7-3-2-4-8-16)20(27)14-26-22(28)19-10-6-5-9-18(19)21(24-26)23(29)30/h2-10,15,17H,11-14H2,1H3,(H,29,30)