5-nitro-N-[[4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]methyl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[[4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]methyl]furan-2-carboxamide Openeye Name: N-[[4-(4-benzyl-1,4-diazepan-1-yl)phenyl]methyl]-5-nitro-furan-2-carboxamide CAS Name: 5-nitro-N-[[4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]methyl]-2-furancarboxamide IUPAC Name: N-[[4-(4-benzyl-1,4-diazepan-1-yl)phenyl]methyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(4-benzyl-1,4-diazepan-1-yl)benzyl]-5-nitro-2-furamide Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c29-24(22-11-12-23(32-22)28(30)31)25-17-19-7-9-21(10-8-19)27-14-4-13-26(15-16-27)18-20-5-2-1-3-6-20/h1-3,5-12H,4,13-18H2,(H,25,29)