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

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl 3-azanylpropanoate Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl 3-aminopropanoate CAS Name: 3-aminopropanoic 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-aminopropanoate Traditional Name: 3-aminopropionic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl ester Formula: C23H21Cl2N3O4 MolecularWeight: 474.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)CCN)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)CCN)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21Cl2N3O4/c1-14(29)20-21(15-2-6-17(24)7-3-15)22(16-4-8-18(25)9-5-16)27-28(23(20)31)12-13-32-19(30)10-11-26/h2-9H,10-13,26H2,1H3