(4Z)-4-[1-[(4-bromophenyl)amino]ethylidene]-2-(4-methoxyphenyl)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-[(4-bromophenyl)amino]ethylidene]-2-(4-methoxyphenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-methoxyphenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-methoxyphenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-methoxyphenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(4-bromoanilino)ethylidene]-2-(4-methoxyphenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22BrN3O2/c1-4-5-19-20(14(2)23-16-8-6-15(22)7-9-16)21(26)25(24-19)17-10-12-18(27-3)13-11-17/h6-13,23H,4-5H2,1-3H3/b20-14-