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

Systemtic Name: 4-(2-azanylethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; methane Openeye Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; methane CAS Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; methane IUPAC Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-one; methane Traditional Name: 4-(2-aminoethyl)-2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-pyrazolin-3-one; methane Formula: C19H22BrN3O2 MolecularWeight: 404.30088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2.CH4/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;1H4