(2S)-1-(4-dimethylaminophenyl)carbonyl-4-ethanoyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-(4-dimethylaminophenyl)carbonyl-4-ethanoyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-1-[4-(dimethylamino)benzoyl]-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-1-[(4-dimethylaminophenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-1-[4-(dimethylamino)benzoyl]-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-1-[4-(dimethylamino)benzoyl]-N-[(3S)-2-keto-3-piperidyl]piperazine-2-carboxamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4/c1-14(27)25-11-12-26(21(30)15-6-8-16(9-7-15)24(2)3)18(13-25)20(29)23-17-5-4-10-22-19(17)28/h6-9,17-18H,4-5,10-13H2,1-3H3,(H,22,28)(H,23,29)/t17-,18-/m0/s1