3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride

Systemtic Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(3-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H20N2O3.ClH/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20;/h5-7,12H,1-4,8-11H2;1H