2-[5-[(4-chlorophenyl)methylamino]-4-ethanoyl-6-oxidanylidene-3-phenyl-pyridazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-chlorophenyl)methylamino]-4-ethanoyl-6-oxidanylidene-3-phenyl-pyridazin-1-yl]ethanoic acid Openeye Name: 2-[4-acetyl-5-[(4-chlorophenyl)methylamino]-6-oxo-3-phenyl-pyridazin-1-yl]acetic acid CAS Name: 2-[4-acetyl-5-[(4-chlorophenyl)methylamino]-6-oxo-3-phenyl-1-pyridazinyl]acetic acid IUPAC Name: 2-[4-acetyl-5-[(4-chlorophenyl)methylamino]-6-oxo-3-phenylpyridazin-1-yl]acetic acid Traditional Name: 2-[4-acetyl-5-[(4-chlorobenzyl)amino]-6-keto-3-phenyl-pyridazin-1-yl]acetic acid Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(N=C1C2=CC=CC=C2)CC(=O)O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=C(C(=O)N(N=C1C2=CC=CC=C2)CC(=O)O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O4/c1-13(26)18-19(15-5-3-2-4-6-15)24-25(12-17(27)28)21(29)20(18)23-11-14-7-9-16(22)10-8-14/h2-10,23H,11-12H2,1H3,(H,27,28)