ethyl 1-[1-(3-bromophenyl)-3-cyano-pyrrol-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(3-bromophenyl)-3-cyano-pyrrol-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-bromophenyl)-3-cyano-pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(3-bromophenyl)-3-cyano-2-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-bromophenyl)-3-cyanopyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-bromophenyl)-3-cyano-pyrrole-2-carbonyl]isonipecotic acid ethyl ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CN2C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CN2C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C20H20BrN3O3/c1-2-27-20(26)14-6-9-23(10-7-14)19(25)18-15(13-22)8-11-24(18)17-5-3-4-16(21)12-17/h3-5,8,11-12,14H,2,6-7,9-10H2,1H3