tert-butyl 4-[4-[(5-cyanofuran-2-yl)carbonylamino]-3-(2,5-dimethylpyrrol-1-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(5-cyanofuran-2-yl)carbonylamino]-3-(2,5-dimethylpyrrol-1-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(5-cyanofuran-2-carbonyl)amino]-3-(2,5-dimethylpyrrol-1-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(5-cyano-2-furanyl)-oxomethyl]amino]-3-(2,5-dimethyl-1-pyrrolyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5-cyanofuran-2-carbonyl)amino]-3-(2,5-dimethylpyrrol-1-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(5-cyano-2-furoyl)amino]-3-(2,5-dimethylpyrrol-1-yl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NC(=O)C4=CC=C(O4)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NC(=O)C4=CC=C(O4)C#N)C

InChI

InChI=1S/C27H31N5O4/c1-18-6-7-19(2)32(18)23-16-20(30-12-14-31(15-13-30)26(34)36-27(3,4)5)8-10-22(23)29-25(33)24-11-9-21(17-28)35-24/h6-11,16H,12-15H2,1-5H3,(H,29,33)