[1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H24Cl2N4O4 MolecularWeight: 491.36706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C23H24Cl2N4O4/c1-3-4-5-8-11-29-22(31)17-10-7-6-9-16(17)19(28-29)23(32)33-14(2)21(30)27-20-18(25)12-15(24)13-26-20/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,26,27,30)