[2-(azepan-1-yl)-5-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-(azepan-1-yl)-5-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [2-(azepan-1-yl)-5-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [2-(1-azepanyl)-5-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [2-(azepan-1-yl)-5-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [2-(azepan-1-yl)-5-nitro-phenyl]-piperidino-methanone Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCCC3

InChI

InChI=1S/C18H25N3O3/c22-18(20-12-6-3-7-13-20)16-14-15(21(23)24)8-9-17(16)19-10-4-1-2-5-11-19/h8-9,14H,1-7,10-13H2