(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-imidazol-1-yl-hexanamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-imidazol-1-yl-hexanamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-imidazol-1-yl-hexanamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-imidazolyl)hexanamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-imidazol-1-ylhexanamide Traditional Name: (3S)-3-imidazol-1-yl-N-piperonyl-hexanamide Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NCC1=CC2=C(C=C1)OCO2)N3C=CN=C3

Isomeric SMILES

CCC[C@@H](CC(=O)NCC1=CC2=C(C=C1)OCO2)N3C=CN=C3

InChI

InChI=1S/C17H21N3O3/c1-2-3-14(20-7-6-18-11-20)9-17(21)19-10-13-4-5-15-16(8-13)23-12-22-15/h4-8,11,14H,2-3,9-10,12H2,1H3,(H,19,21)/t14-/m0/s1