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azepan-1-yl-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone

azepan-1-yl-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name:azepan-1-yl-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone
Openeye Name:azepan-1-yl-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone
CAS Name:1-azepanyl-[5-nitro-2-(1-pyrrolidinyl)phenyl]methanone
IUPAC Name:azepan-1-yl-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone
Traditional Name:azepan-1-yl-(5-nitro-2-pyrrolidino-phenyl)methanone
Formula: C17H23N3O3
MolecularWeight: 317.38282
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3


Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3


InChI

InChI=1S/C17H23N3O3/c21-17(19-11-3-1-2-4-12-19)15-13-14(20(22)23)7-8-16(15)18-9-5-6-10-18/h7-8,13H,1-6,9-12H2


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