(2S)-N2-[(3S)-2-oxidanylidenepiperidin-3-yl]-N4-phenyl-N1-propan-2-yl-piperazine-1,2,4-tricarboxamide

Systemtic Name: (2S)-N2-[(3S)-2-oxidanylidenepiperidin-3-yl]-N4-phenyl-N1-propan-2-yl-piperazine-1,2,4-tricarboxamide Openeye Name: (2S)-N1-isopropyl-N2-[(3S)-2-oxo-3-piperidyl]-N4-phenyl-piperazine-1,2,4-tricarboxamide CAS Name: (2S)-N2-[(3S)-2-oxo-3-piperidinyl]-N4-phenyl-N1-propan-2-ylpiperazine-1,2,4-tricarboxamide IUPAC Name: (2S)-2-N-[(3S)-2-oxopiperidin-3-yl]-4-N-phenyl-1-N-propan-2-ylpiperazine-1,2,4-tricarboxamide Traditional Name: (2S)-N1-isopropyl-N2-[(3S)-2-keto-3-piperidyl]-N4-phenyl-piperazine-1,2,4-tricarboxamide Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1C(=O)NC2CCCNC2=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)N1CCN(C[C@H]1C(=O)N[C@H]2CCCNC2=O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H30N6O4/c1-14(2)23-21(31)27-12-11-26(20(30)24-15-7-4-3-5-8-15)13-17(27)19(29)25-16-9-6-10-22-18(16)28/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H,22,28)(H,23,31)(H,24,30)(H,25,29)/t16-,17-/m0/s1