(3S)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-(phenylcarbonyl)-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-(phenylcarbonyl)-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-4-benzoyl-N1-isopropyl-N3-[(3S)-2-oxo-3-piperidyl]piperazine-1,3-dicarboxamide CAS Name: (3S)-4-benzoyl-N3-[(3S)-2-oxo-3-piperidinyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3S)-4-benzoyl-N-isopropyl-N'-[(3S)-2-keto-3-piperidyl]piperazine-1,3-dicarboxamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@@H](C1)C(=O)N[C@H]2CCCNC2=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O4/c1-14(2)23-21(30)25-11-12-26(20(29)15-7-4-3-5-8-15)17(13-25)19(28)24-16-9-6-10-22-18(16)27/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)/t16-,17-/m0/s1