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

Systemtic Name: [4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3-iodobenzyl)-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Formula: C19H20IN3O3 MolecularWeight: 465.28487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)I

InChI

InChI=1S/C19H20IN3O3/c20-17-6-1-4-15(12-17)14-21-8-3-9-22(11-10-21)19(24)16-5-2-7-18(13-16)23(25)26/h1-2,4-7,12-13H,3,8-11,14H2