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

Systemtic Name: 4-(2-azanylethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one Openeye Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one CAS Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one IUPAC Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one Traditional Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-pyrazolin-3-one Formula: C18H18BrN3O2 MolecularWeight: 388.25842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2/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/h2-9,21H,10-11,20H2,1H3