3-(azepan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride

Systemtic Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(4-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(4-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=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

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