4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N4O4/c23-12-17-2-4-18(5-3-17)13-24-6-1-7-25(9-8-24)14-19-10-21(26(27)28)11-20-15-29-16-30-22(19)20/h2-5,10-11H,1,6-9,13-16H2