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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCNCC4

InChI

InChI=1S/C22H25N3O4/c1-15(22(27)25-11-2-9-23-10-12-25)16-3-6-18(7-4-16)24-21(26)17-5-8-19-20(13-17)29-14-28-19/h3-8,13,15,23H,2,9-12,14H2,1H3,(H,24,26)