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

Systemtic Name: 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide Openeye Name: N-isopropyl-4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide Traditional Name: N-isopropyl-4-[4-[[(5-nitro-2-furoyl)amino]methyl]phenyl]-1,4-diazepane-1-carboxamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)N1CCCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5/c1-15(2)23-21(28)25-11-3-10-24(12-13-25)17-6-4-16(5-7-17)14-22-20(27)18-8-9-19(31-18)26(29)30/h4-9,15H,3,10-14H2,1-2H3,(H,22,27)(H,23,28)