(3R)-3-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3R)-3-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (3R)-3-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3R)-3-[oxo-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]hydrazo]methyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3R)-3-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3R)-3-[[[2-(2-ketoazepan-1-yl)acetyl]amino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=O)[C@@H]2CCCN(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O4/c27-18(15-25-12-6-2-5-11-19(25)28)23-24-20(29)16-8-7-13-26(14-16)21(30)22-17-9-3-1-4-10-17/h1,3-4,9-10,16H,2,5-8,11-15H2,(H,22,30)(H,23,27)(H,24,29)/t16-/m1/s1