ethyl 3-[5-azanyl-3-(3-bromophenyl)pyrazol-1-yl]-3-ethoxy-propanoate

Systemtic Name: ethyl 3-[5-azanyl-3-(3-bromophenyl)pyrazol-1-yl]-3-ethoxy-propanoate Openeye Name: ethyl 3-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]-3-ethoxy-propanoate CAS Name: 3-[5-amino-3-(3-bromophenyl)-1-pyrazolyl]-3-ethoxypropanoic acid ethyl ester IUPAC Name: ethyl 3-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]-3-ethoxypropanoate Traditional Name: 3-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]-3-ethoxy-propionic acid ethyl ester Formula: C16H20BrN3O3 MolecularWeight: 382.2523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=O)OCC)N1C(=CC(=N1)C2=CC(=CC=C2)Br)N

Isomeric SMILES

CCOC(CC(=O)OCC)N1C(=CC(=N1)C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C16H20BrN3O3/c1-3-22-15(10-16(21)23-4-2)20-14(18)9-13(19-20)11-6-5-7-12(17)8-11/h5-9,15H,3-4,10,18H2,1-2H3