(3R)-N1-(4-ethanoylphenyl)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-4-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N1-(4-ethanoylphenyl)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-4-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N1-(4-acetylphenyl)-N3-[(3S)-2-oxo-3-piperidyl]-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N1-(4-acetylphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(4-piperidinyl)methyl]piperazine-1,3-dicarboxamide IUPAC Name: (3R)-1-N-(4-acetylphenyl)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N-(4-acetylphenyl)-4-isonipecotoyl-N'-[(3S)-2-keto-3-piperidyl]piperazine-1,3-dicarboxamide Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4CCNCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN([C@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4CCNCC4

InChI

InChI=1S/C25H34N6O5/c1-16(32)17-4-6-19(7-5-17)28-25(36)30-13-14-31(24(35)18-8-11-26-12-9-18)21(15-30)23(34)29-20-3-2-10-27-22(20)33/h4-7,18,20-21,26H,2-3,8-15H2,1H3,(H,27,33)(H,28,36)(H,29,34)/t20-,21+/m0/s1