N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-piperonylamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c26-21(14-23-22(27)18-7-8-19-20(13-18)29-16-28-19)25-10-4-9-24(11-12-25)15-17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,23,27)