(3S)-N-(1,3-benzodioxol-5-ylmethyl)-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-piperonyl-1-[2-(2-pyridyl)ethyl]nipecotamide Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)CCC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC3=C(C=C2)OCO3)CCC4=CC=CC=N4

InChI

InChI=1S/C21H23N3O4/c25-20-7-5-16(13-24(20)10-8-17-3-1-2-9-22-17)21(26)23-12-15-4-6-18-19(11-15)28-14-27-18/h1-4,6,9,11,16H,5,7-8,10,12-14H2,(H,23,26)/t16-/m0/s1