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

Systemtic Name: 3-[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(4-methoxyphenyl)methyl-[1-methyl-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[[1-methyl-2-(2-thienyl)ethyl]-p-anisyl-amino]ethyl]phthalazine-1-carboxylic acid Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=C(C=C2)OC)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(CC1=CC=CS1)N(CC2=CC=C(C=C2)OC)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C26H25N3O5S/c1-17(14-20-6-5-13-35-20)28(15-18-9-11-19(34-2)12-10-18)23(30)16-29-25(31)22-8-4-3-7-21(22)24(27-29)26(32)33/h3-13,17H,14-16H2,1-2H3,(H,32,33)