4-(2-azanylethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; sulfuric acid

Systemtic Name: 4-(2-azanylethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; sulfuric acid Openeye Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; sulfuric acid CAS Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; sulfuric acid IUPAC Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; sulfuric acid Traditional Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-pyrazolin-3-one; sulfuric acid Formula: C18H20BrN3O6S MolecularWeight: 486.3369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)Br)CCN.OS(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)Br)CCN.OS(=O)(=O)O

InChI

InChI=1S/C18H18BrN3O2.H2O4S/c1-24-15-8-2-12(3-9-15)17-16(10-11-20)18(23)22(21-17)14-6-4-13(19)5-7-14;1-5(2,3)4/h2-9,21H,10-11,20H2,1H3;(H2,1,2,3,4)