N-[2-oxidanylidene-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[4-(isopropylcarbamoylamino)phenyl]methylamino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[4-(isopropylcarbamoylamino)benzyl]amino]-2-keto-ethyl]-piperonylamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N4O5/c1-13(2)24-21(28)25-16-6-3-14(4-7-16)10-22-19(26)11-23-20(27)15-5-8-17-18(9-15)30-12-29-17/h3-9,13H,10-12H2,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)