tert-butyl 4-(3-cyanophenyl)-3-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyanophenyl)-3-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-cyanophenyl)-3-[[4-(2-oxo-1-piperidyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-(3-cyanophenyl)-3-[oxo-[4-(2-oxo-1-piperidinyl)anilino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyanophenyl)-3-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-(3-cyanophenyl)-3-[[4-(2-ketopiperidino)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H33N5O4/c1-28(2,3)37-27(36)31-15-16-32(23-8-6-7-20(17-23)18-29)24(19-31)26(35)30-21-10-12-22(13-11-21)33-14-5-4-9-25(33)34/h6-8,10-13,17,24H,4-5,9,14-16,19H2,1-3H3,(H,30,35)