2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-1-pyridazinyl]ethyl ester IUPAC Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl ester Formula: C29H25Cl2N3O4 MolecularWeight: 550.4325

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)C(CC2=CC=CC=C2)N)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)[C@H](CC2=CC=CC=C2)N)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H25Cl2N3O4/c1-18(35)25-26(20-7-11-22(30)12-8-20)27(21-9-13-23(31)14-10-21)33-34(28(25)36)15-16-38-29(37)24(32)17-19-5-3-2-4-6-19/h2-14,24H,15-17,32H2,1H3/t24-/m0/s1