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

Systemtic Name: tert-butyl 4-[4-[(5-cyanofuran-2-yl)carbonylamino]-3-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(5-cyanofuran-2-carbonyl)amino]-3-(4-methyl-1-piperidyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(5-cyano-2-furanyl)-oxomethyl]amino]-3-(4-methyl-1-piperidinyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5-cyanofuran-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(5-cyano-2-furoyl)amino]-3-(4-methylpiperidino)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NC(=O)C4=CC=C(O4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)NC(=O)C4=CC=C(O4)C#N

InChI

InChI=1S/C27H35N5O4/c1-19-9-11-31(12-10-19)23-17-20(30-13-15-32(16-14-30)26(34)36-27(2,3)4)5-7-22(23)29-25(33)24-8-6-21(18-28)35-24/h5-8,17,19H,9-16H2,1-4H3,(H,29,33)