1,3-benzodioxol-5-yl-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-20(16-4-7-18-19(12-16)28-14-27-18)22-9-1-8-21(10-11-22)13-15-2-5-17(6-3-15)23(25)26/h2-7,12H,1,8-11,13-14H2