dimethyl 3-[4-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(6-pyrrol-1-ylnicotinoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CN=C(C=C2)N3C=CC=C3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CN=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C20H21N5O5/c1-29-18(26)9-16(10-19(27)30-2)25-13-15(12-22-25)23-20(28)14-5-6-17(21-11-14)24-7-3-4-8-24/h3-8,11-13,16H,9-10H2,1-2H3,(H,23,28)