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

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic 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 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl ester Formula: C33H31Cl2N3O6 MolecularWeight: 636.52174

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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)NC(=O)OCC4=CC=CC=C4

Isomeric 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)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H31Cl2N3O6/c1-20(2)29(36-33(42)44-19-22-7-5-4-6-8-22)32(41)43-18-17-38-31(40)27(21(3)39)28(23-9-13-25(34)14-10-23)30(37-38)24-11-15-26(35)16-12-24/h4-16,20,29H,17-19H2,1-3H3,(H,36,42)