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

Systemtic Name: (3R)-N1-(4-ethanoylphenyl)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyridin-3-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N1-(4-acetylphenyl)-N3-[(3S)-2-oxo-3-piperidyl]-4-(pyridine-3-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N1-(4-acetylphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(3-pyridinyl)methyl]piperazine-1,3-dicarboxamide IUPAC Name: (3R)-1-N-(4-acetylphenyl)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N-(4-acetylphenyl)-N'-[(3S)-2-keto-3-piperidyl]-4-nicotinoyl-piperazine-1,3-dicarboxamide Formula: C25H28N6O5 MolecularWeight: 492.52702

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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)C4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN([C@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H28N6O5/c1-16(32)17-6-8-19(9-7-17)28-25(36)30-12-13-31(24(35)18-4-2-10-26-14-18)21(15-30)23(34)29-20-5-3-11-27-22(20)33/h2,4,6-10,14,20-21H,3,5,11-13,15H2,1H3,(H,27,33)(H,28,36)(H,29,34)/t20-,21+/m0/s1