[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H19ClN4O4/c1-2-3-11-25-19(27)14-8-5-4-7-13(14)17(24-25)20(28)29-12-16(26)23-15-9-6-10-22-18(15)21/h4-10H,2-3,11-12H2,1H3,(H,23,26)