N-(1,3-benzodioxol-5-ylmethyl)-1-(3-oxidanylidenepropyl)azepine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-oxidanylidenepropyl)azepine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-oxopropyl)azepine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-oxopropyl)-2-azepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-oxopropyl)azepine-2-carboxamide Traditional Name: 1-(3-ketopropyl)-N-piperonyl-azepine-2-carboxamide Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=CN3CCC=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=CN3CCC=O

InChI

InChI=1S/C18H18N2O4/c21-10-4-9-20-8-3-1-2-5-15(20)18(22)19-12-14-6-7-16-17(11-14)24-13-23-16/h1-3,5-8,10-11H,4,9,12-13H2,(H,19,22)