(2S)-4-(3-fluorophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-4-(3-fluorophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(3-fluorobenzoyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(4-piperidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(3-fluorobenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-(3-fluorobenzoyl)-1-isonipecotoyl-N-[(3S)-2-keto-3-piperidyl]piperazine-2-carboxamide Formula: C23H30FN5O4 MolecularWeight: 459.513803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3CCNCC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3CCNCC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H30FN5O4/c24-17-4-1-3-16(13-17)22(32)28-11-12-29(23(33)15-6-9-25-10-7-15)19(14-28)21(31)27-18-5-2-8-26-20(18)30/h1,3-4,13,15,18-19,25H,2,5-12,14H2,(H,26,30)(H,27,31)/t18-,19-/m0/s1