dimethyl 3-[4-[(5-bromanyl-1H-indol-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(5-bromanyl-1H-indol-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-bromo-1H-indole-2-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(5-bromo-1H-indol-2-yl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-bromo-1H-indole-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(5-bromo-1H-indole-2-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H19BrN4O5 MolecularWeight: 463.28196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C19H19BrN4O5/c1-28-17(25)7-14(8-18(26)29-2)24-10-13(9-21-24)22-19(27)16-6-11-5-12(20)3-4-15(11)23-16/h3-6,9-10,14,23H,7-8H2,1-2H3,(H,22,27)