N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzoxazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-piperonyl-nipecotamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3O2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3O2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O4/c25-20(22-11-14-7-8-18-19(10-14)27-13-26-18)15-4-3-9-24(12-15)21-23-16-5-1-2-6-17(16)28-21/h1-2,5-8,10,15H,3-4,9,11-13H2,(H,22,25)