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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c24-20(16-5-6-18-19(12-16)28-14-27-18)22-8-2-7-21(9-10-22)13-15-3-1-4-17(11-15)23(25)26/h1,3-6,11-12H,2,7-10,13-14H2