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

Systemtic Name: (3-bromophenyl)-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromophenyl)-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(3-nitrobenzyl)-1,4-diazepan-1-yl]methanone Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3/c20-17-6-2-5-16(13-17)19(24)22-9-3-8-21(10-11-22)14-15-4-1-7-18(12-15)23(25)26/h1-2,4-7,12-13H,3,8-11,14H2