[(3S,5S,6S)-1-methyl-5-(oxidanylcarbamoyl)-6-(4-phenylpiperazin-1-yl)carbonyl-piperidin-3-yl] azepane-1-carboxylate

Systemtic Name: [(3S,5S,6S)-1-methyl-5-(oxidanylcarbamoyl)-6-(4-phenylpiperazin-1-yl)carbonyl-piperidin-3-yl] azepane-1-carboxylate Openeye Name: [(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)-3-piperidyl] azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid [(3S,5S,6S)-5-[(hydroxyamino)-oxomethyl]-1-methyl-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-piperidinyl] ester IUPAC Name: [(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl] azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid [(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)-3-piperidyl] ester Formula: C25H37N5O5 MolecularWeight: 487.59178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC(C1C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NO)OC(=O)N4CCCCCC4

Isomeric SMILES

CN1C[C@H](C[C@@H]([C@H]1C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NO)OC(=O)N4CCCCCC4

InChI

InChI=1S/C25H37N5O5/c1-27-18-20(35-25(33)30-11-7-2-3-8-12-30)17-21(23(31)26-34)22(27)24(32)29-15-13-28(14-16-29)19-9-5-4-6-10-19/h4-6,9-10,20-22,34H,2-3,7-8,11-18H2,1H3,(H,26,31)/t20-,21-,22-/m0/s1