4-oxidanylidene-3-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-1-phenyl-2-(1-piperidyl)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(2-keto-1-phenyl-2-piperidino-ethyl)phthalazine-1-carboxylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-20-17-12-6-5-11-16(17)18(22(28)29)23-25(20)19(15-9-3-1-4-10-15)21(27)24-13-7-2-8-14-24/h1,3-6,9-12,19H,2,7-8,13-14H2,(H,28,29)