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

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic 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-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl ester Formula: C25H25Cl2N3O4 MolecularWeight: 502.3897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)C)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)C)N

InChI

InChI=1S/C25H25Cl2N3O4/c1-14(2)22(28)25(33)34-13-12-30-24(32)20(15(3)31)21(16-4-8-18(26)9-5-16)23(29-30)17-6-10-19(27)11-7-17/h4-11,14,22H,12-13,28H2,1-3H3/t22-/m0/s1