[4-(azepan-1-yl)-3-nitro-phenyl]-(2-methylpiperidin-1-yl)methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(2-methylpiperidin-1-yl)methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(2-methyl-1-piperidyl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-(2-methyl-1-piperidinyl)methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-(2-methylpiperidin-1-yl)methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(2-methylpiperidino)methanone Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O3/c1-15-8-4-7-13-21(15)19(23)16-9-10-17(18(14-16)22(24)25)20-11-5-2-3-6-12-20/h9-10,14-15H,2-8,11-13H2,1H3