(3S)-N,N-diethyl-1-[[(5R)-3-phenethyl-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]piperidine-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[[(5R)-3-phenethyl-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]piperidine-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(5R)-3-phenethyl-4,5-dihydroisoxazole-5-carbonyl]piperidine-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[oxo-[(5R)-3-phenethyl-4,5-dihydroisoxazol-5-yl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(5R)-3-phenethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(5R)-3-phenethyl-2-isoxazoline-5-carbonyl]nipecotamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=O)C2CC(=NO2)CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CC(=NO2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3/c1-3-24(4-2)21(26)18-11-8-14-25(16-18)22(27)20-15-19(23-28-20)13-12-17-9-6-5-7-10-17/h5-7,9-10,18,20H,3-4,8,11-16H2,1-2H3/t18-,20+/m0/s1