4-(4-butoxyphenyl)carbonyl-1,2-bis(4-chlorophenyl)-5-oxidanyl-pyrazol-3-one

Systemtic Name: 4-(4-butoxyphenyl)carbonyl-1,2-bis(4-chlorophenyl)-5-oxidanyl-pyrazol-3-one Openeye Name: 4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydroxy-pyrazol-3-one CAS Name: 4-[(4-butoxyphenyl)-oxomethyl]-1,2-bis(4-chlorophenyl)-5-hydroxy-3-pyrazolone IUPAC Name: 4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydroxypyrazol-3-one Traditional Name: 4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydroxy-3-pyrazolin-3-one Formula: C26H22Cl2N2O4 MolecularWeight: 497.36988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H22Cl2N2O4/c1-2-3-16-34-22-14-4-17(5-15-22)24(31)23-25(32)29(20-10-6-18(27)7-11-20)30(26(23)33)21-12-8-19(28)9-13-21/h4-15,32H,2-3,16H2,1H3