4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-isopropyl-4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]piperazine-1-carboxamide CAS Name: 4-[4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]phenyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-isopropyl-4-[4-[[(5-nitro-2-furoyl)amino]methyl]phenyl]piperazine-1-carboxamide Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-14(2)22-20(27)24-11-9-23(10-12-24)16-5-3-15(4-6-16)13-21-19(26)17-7-8-18(30-17)25(28)29/h3-8,14H,9-13H2,1-2H3,(H,21,26)(H,22,27)