tert-butyl 4-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CO3)C

InChI

InChI=1S/C23H31N5O4/c1-16-17(2)28(14-18-7-6-12-31-18)21(19(16)13-24)25-20(29)15-26-8-10-27(11-9-26)22(30)32-23(3,4)5/h6-7,12H,8-11,14-15H2,1-5H3,(H,25,29)