5-[2-(4-chlorophenyl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-2-heptan-4-yl-1H-pyrazol-3-one

Systemtic Name: 5-[2-(4-chlorophenyl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-2-heptan-4-yl-1H-pyrazol-3-one Openeye Name: 5-[2-(4-chlorophenyl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-2-(1-propylbutyl)-1H-pyrazol-3-one CAS Name: 5-[2-(4-chlorophenyl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-2-heptan-4-yl-1H-pyrazol-3-one IUPAC Name: 5-[2-(4-chlorophenyl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-2-heptan-4-yl-1H-pyrazol-3-one Traditional Name: 5-[2-(4-chlorophenyl)-2-keto-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-(1-propylbutyl)-3-pyrazolin-3-one Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=O)C=C(N1)C(C2=C(NC3=C2C=C(C=C3)OC)C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC(CCC)N1C(=O)C=C(N1)C(C2=C(NC3=C2C=C(C=C3)OC)C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H32ClN3O3/c1-5-7-20(8-6-2)32-25(33)16-24(31-32)27(28(34)18-9-11-19(29)12-10-18)26-17(3)30-23-14-13-21(35-4)15-22(23)26/h9-16,20,27,30-31H,5-8H2,1-4H3