3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[(3R)-3-methylpiperidino]ethyl]phthalazine-1-carboxylate Formula: C17H18N3O4- MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-11-5-4-8-19(9-11)14(21)10-20-16(22)13-7-3-2-6-12(13)15(18-20)17(23)24/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,23,24)/p-1/t11-/m1/s1