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

Systemtic Name: tert-butyl 4-(3-aminocarbonylphenyl)-3-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-carbamoylphenyl)-3-[[4-(2-oxo-1-piperidyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-(3-carbamoylphenyl)-3-[oxo-[4-(2-oxo-1-piperidinyl)anilino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-carbamoylphenyl)-3-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-(3-carbamoylphenyl)-3-[[4-(2-ketopiperidino)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O5 MolecularWeight: 521.608

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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(=O)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(=O)N

InChI

InChI=1S/C28H35N5O5/c1-28(2,3)38-27(37)31-15-16-32(22-8-6-7-19(17-22)25(29)35)23(18-31)26(36)30-20-10-12-21(13-11-20)33-14-5-4-9-24(33)34/h6-8,10-13,17,23H,4-5,9,14-16,18H2,1-3H3,(H2,29,35)(H,30,36)