3-[(2,4,5-trimethylphenyl)methylamino]azepan-2-one hydrochloride

Systemtic Name: 3-[(2,4,5-trimethylphenyl)methylamino]azepan-2-one hydrochloride Openeye Name: 3-[(2,4,5-trimethylphenyl)methylamino]azepan-2-one hydrochloride CAS Name: 3-[(2,4,5-trimethylphenyl)methylamino]-2-azepanone hydrochloride IUPAC Name: 3-[(2,4,5-trimethylphenyl)methylamino]azepan-2-one hydrochloride Traditional Name: 3-[(2,4,5-trimethylbenzyl)amino]azepan-2-one hydrochloride Formula: C16H25ClN2O MolecularWeight: 296.8355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CNC2CCCCNC2=O)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)CNC2CCCCNC2=O)C.Cl

InChI

InChI=1S/C16H24N2O.ClH/c1-11-8-13(3)14(9-12(11)2)10-18-15-6-4-5-7-17-16(15)19;/h8-9,15,18H,4-7,10H2,1-3H3,(H,17,19);1H