azepan-1-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: azepan-1-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: azepan-1-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: 1-azepanyl-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: azepan-1-yl-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: azepan-1-yl-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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