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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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