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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c28-20(24-17-10-12-26(13-11-17)14-16-6-2-1-3-7-16)15-27-22(29)19-9-5-4-8-18(19)21(25-27)23(30)31/h1-9,17H,10-15H2,(H,24,28)(H,30,31)