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

Systemtic Name: 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-30-16-10-6-14(7-11-16)12-24(15-8-9-15)19(26)13-25-21(27)18-5-3-2-4-17(18)20(23-25)22(28)29/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,28,29)